USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -163:sc= -3.34! (180deg=-4.75!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -1.54! (180deg=-2.28!) USER MOD Single : A 74 LYS NZ :NH3+ -106:sc= -0.92 (180deg=-3.47!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.1 K(o=1.1,f=-0.43) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -117:sc= -0.433 (180deg=-4.11!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.39 F(o=-2.3!,f=-1.4) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -162:sc= -3.42! (180deg=-4.71!) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ -159:sc= -1.51 (180deg=-2.8!) USER MOD Single : B 74 LYS NZ :NH3+ -112:sc= -0.921 (180deg=-3.29!) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 0.968 K(o=0.97,f=-0.43) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -117:sc= -0.429 (180deg=-4.17!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.41 F(o=-2.4,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.165 -18.176 -7.425 1.00 0.31 N ATOM 358 CA PRO A 43 -1.661 -17.481 -6.224 1.00 0.31 C ATOM 359 C PRO A 43 -2.430 -16.176 -5.990 1.00 0.27 C ATOM 360 O PRO A 43 -2.875 -15.897 -4.894 1.00 0.29 O ATOM 361 CB PRO A 43 -0.206 -17.198 -6.575 1.00 0.35 C ATOM 362 CG PRO A 43 -0.145 -17.161 -8.076 1.00 0.37 C ATOM 363 CD PRO A 43 -1.402 -17.801 -8.619 1.00 0.35 C ATOM 0 HA PRO A 43 -1.776 -18.062 -5.309 1.00 0.31 H new ATOM 0 HB2 PRO A 43 0.122 -16.251 -6.147 1.00 0.35 H new ATOM 0 HB3 PRO A 43 0.450 -17.972 -6.176 1.00 0.35 H new ATOM 0 HG2 PRO A 43 -0.061 -16.133 -8.427 1.00 0.37 H new ATOM 0 HG3 PRO A 43 0.737 -17.693 -8.433 1.00 0.37 H new ATOM 0 HD2 PRO A 43 -1.962 -17.108 -9.247 1.00 0.35 H new ATOM 0 HD3 PRO A 43 -1.171 -18.672 -9.233 1.00 0.35 H new ATOM 371 N LEU A 44 -2.575 -15.373 -7.016 1.00 0.26 N ATOM 372 CA LEU A 44 -3.300 -14.070 -6.882 1.00 0.25 C ATOM 373 C LEU A 44 -2.669 -13.204 -5.786 1.00 0.24 C ATOM 374 O LEU A 44 -3.263 -12.247 -5.325 1.00 0.34 O ATOM 375 CB LEU A 44 -4.744 -14.428 -6.519 1.00 0.28 C ATOM 376 CG LEU A 44 -5.614 -13.168 -6.612 1.00 0.35 C ATOM 377 CD1 LEU A 44 -6.752 -13.397 -7.611 1.00 0.63 C ATOM 378 CD2 LEU A 44 -6.201 -12.842 -5.233 1.00 0.58 C ATOM 0 H LEU A 44 -2.218 -15.567 -7.951 1.00 0.26 H new ATOM 0 HA LEU A 44 -3.250 -13.493 -7.805 1.00 0.25 H new ATOM 0 HB2 LEU A 44 -5.122 -15.196 -7.194 1.00 0.28 H new ATOM 0 HB3 LEU A 44 -4.787 -14.841 -5.511 1.00 0.28 H new ATOM 0 HG LEU A 44 -4.999 -12.334 -6.950 1.00 0.35 H new ATOM 0 HD11 LEU A 44 -7.367 -12.499 -7.674 1.00 0.63 H new ATOM 0 HD12 LEU A 44 -6.335 -13.620 -8.593 1.00 0.63 H new ATOM 0 HD13 LEU A 44 -7.365 -14.235 -7.278 1.00 0.63 H new ATOM 0 HD21 LEU A 44 -6.818 -11.946 -5.303 1.00 0.58 H new ATOM 0 HD22 LEU A 44 -6.811 -13.678 -4.891 1.00 0.58 H new ATOM 0 HD23 LEU A 44 -5.391 -12.670 -4.524 1.00 0.58 H new ATOM 390 N LYS A 45 -1.465 -13.520 -5.377 1.00 0.24 N ATOM 391 CA LYS A 45 -0.791 -12.702 -4.326 1.00 0.24 C ATOM 392 C LYS A 45 -0.100 -11.508 -4.986 1.00 0.24 C ATOM 393 O LYS A 45 0.059 -10.471 -4.386 1.00 0.29 O ATOM 394 CB LYS A 45 0.228 -13.638 -3.668 1.00 0.29 C ATOM 395 CG LYS A 45 1.284 -14.067 -4.691 1.00 0.34 C ATOM 396 CD LYS A 45 2.373 -14.884 -3.993 1.00 0.41 C ATOM 397 CE LYS A 45 1.764 -16.160 -3.404 1.00 0.49 C ATOM 398 NZ LYS A 45 2.881 -17.145 -3.384 1.00 0.34 N ATOM 0 H LYS A 45 -0.921 -14.309 -5.726 1.00 0.24 H new ATOM 0 HA LYS A 45 -1.487 -12.306 -3.587 1.00 0.24 H new ATOM 0 HB2 LYS A 45 0.707 -13.134 -2.828 1.00 0.29 H new ATOM 0 HB3 LYS A 45 -0.279 -14.516 -3.267 1.00 0.29 H new ATOM 0 HG2 LYS A 45 0.821 -14.659 -5.480 1.00 0.34 H new ATOM 0 HG3 LYS A 45 1.722 -13.189 -5.166 1.00 0.34 H new ATOM 0 HD2 LYS A 45 3.160 -15.139 -4.702 1.00 0.41 H new ATOM 0 HD3 LYS A 45 2.835 -14.292 -3.203 1.00 0.41 H new ATOM 0 HE2 LYS A 45 1.374 -15.985 -2.401 1.00 0.49 H new ATOM 0 HE3 LYS A 45 0.933 -16.518 -4.012 1.00 0.49 H new ATOM 0 HZ1 LYS A 45 2.542 -18.047 -2.993 1.00 0.34 H new ATOM 0 HZ2 LYS A 45 3.228 -17.297 -4.353 1.00 0.34 H new ATOM 0 HZ3 LYS A 45 3.655 -16.780 -2.793 1.00 0.34 H new ATOM 412 N LEU A 46 0.300 -11.666 -6.225 1.00 0.24 N ATOM 413 CA LEU A 46 0.980 -10.562 -6.983 1.00 0.27 C ATOM 414 C LEU A 46 0.407 -9.183 -6.605 1.00 0.26 C ATOM 415 O LEU A 46 1.140 -8.228 -6.413 1.00 0.29 O ATOM 416 CB LEU A 46 0.671 -10.873 -8.456 1.00 0.29 C ATOM 417 CG LEU A 46 1.964 -10.921 -9.278 1.00 0.39 C ATOM 418 CD1 LEU A 46 2.709 -9.586 -9.166 1.00 0.50 C ATOM 419 CD2 LEU A 46 2.854 -12.055 -8.762 1.00 0.47 C ATOM 0 H LEU A 46 0.182 -12.530 -6.755 1.00 0.24 H new ATOM 0 HA LEU A 46 2.047 -10.518 -6.766 1.00 0.27 H new ATOM 0 HB2 LEU A 46 0.150 -11.828 -8.531 1.00 0.29 H new ATOM 0 HB3 LEU A 46 0.003 -10.113 -8.862 1.00 0.29 H new ATOM 0 HG LEU A 46 1.717 -11.100 -10.324 1.00 0.39 H new ATOM 0 HD11 LEU A 46 3.626 -9.631 -9.754 1.00 0.50 H new ATOM 0 HD12 LEU A 46 2.075 -8.783 -9.543 1.00 0.50 H new ATOM 0 HD13 LEU A 46 2.956 -9.394 -8.122 1.00 0.50 H new ATOM 0 HD21 LEU A 46 3.774 -12.090 -9.346 1.00 0.47 H new ATOM 0 HD22 LEU A 46 3.096 -11.879 -7.714 1.00 0.47 H new ATOM 0 HD23 LEU A 46 2.327 -13.004 -8.858 1.00 0.47 H new ATOM 431 N PHE A 47 -0.895 -9.084 -6.486 1.00 0.25 N ATOM 432 CA PHE A 47 -1.524 -7.781 -6.119 1.00 0.26 C ATOM 433 C PHE A 47 -1.383 -7.556 -4.616 1.00 0.25 C ATOM 434 O PHE A 47 -1.003 -6.491 -4.167 1.00 0.31 O ATOM 435 CB PHE A 47 -2.998 -7.932 -6.524 1.00 0.27 C ATOM 436 CG PHE A 47 -3.856 -6.940 -5.769 1.00 0.25 C ATOM 437 CD1 PHE A 47 -3.495 -5.588 -5.729 1.00 0.28 C ATOM 438 CD2 PHE A 47 -5.012 -7.375 -5.107 1.00 0.29 C ATOM 439 CE1 PHE A 47 -4.289 -4.673 -5.029 1.00 0.33 C ATOM 440 CE2 PHE A 47 -5.805 -6.459 -4.407 1.00 0.34 C ATOM 441 CZ PHE A 47 -5.443 -5.108 -4.368 1.00 0.35 C ATOM 0 H PHE A 47 -1.549 -9.853 -6.628 1.00 0.25 H new ATOM 0 HA PHE A 47 -1.061 -6.926 -6.612 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -3.105 -7.773 -7.597 1.00 0.27 H new ATOM 0 HB3 PHE A 47 -3.337 -8.947 -6.317 1.00 0.27 H new ATOM 0 HD1 PHE A 47 -2.604 -5.251 -6.238 1.00 0.28 H new ATOM 0 HD2 PHE A 47 -5.291 -8.418 -5.137 1.00 0.29 H new ATOM 0 HE1 PHE A 47 -4.011 -3.630 -4.999 1.00 0.33 H new ATOM 0 HE2 PHE A 47 -6.696 -6.795 -3.897 1.00 0.34 H new ATOM 0 HZ PHE A 47 -6.055 -4.401 -3.827 1.00 0.35 H new ATOM 451 N MET A 48 -1.681 -8.563 -3.844 1.00 0.24 N ATOM 452 CA MET A 48 -1.565 -8.441 -2.365 1.00 0.26 C ATOM 453 C MET A 48 -0.125 -8.102 -1.981 1.00 0.25 C ATOM 454 O MET A 48 0.129 -7.137 -1.293 1.00 0.32 O ATOM 455 CB MET A 48 -1.955 -9.819 -1.829 1.00 0.31 C ATOM 456 CG MET A 48 -2.919 -9.651 -0.658 1.00 0.46 C ATOM 457 SD MET A 48 -4.596 -10.094 -1.172 1.00 0.54 S ATOM 458 CE MET A 48 -4.750 -8.875 -2.501 1.00 0.48 C ATOM 0 H MET A 48 -2.002 -9.472 -4.177 1.00 0.24 H new ATOM 0 HA MET A 48 -2.197 -7.651 -1.959 1.00 0.26 H new ATOM 0 HB2 MET A 48 -2.422 -10.410 -2.617 1.00 0.31 H new ATOM 0 HB3 MET A 48 -1.066 -10.362 -1.508 1.00 0.31 H new ATOM 0 HG2 MET A 48 -2.606 -10.281 0.175 1.00 0.46 H new ATOM 0 HG3 MET A 48 -2.898 -8.620 -0.304 1.00 0.46 H new ATOM 0 HE1 MET A 48 -5.801 -8.755 -2.765 1.00 0.48 H new ATOM 0 HE2 MET A 48 -4.349 -7.919 -2.166 1.00 0.48 H new ATOM 0 HE3 MET A 48 -4.193 -9.216 -3.374 1.00 0.48 H new ATOM 468 N ALA A 49 0.814 -8.892 -2.430 1.00 0.26 N ATOM 469 CA ALA A 49 2.248 -8.636 -2.108 1.00 0.29 C ATOM 470 C ALA A 49 2.658 -7.231 -2.561 1.00 0.27 C ATOM 471 O ALA A 49 3.315 -6.509 -1.835 1.00 0.32 O ATOM 472 CB ALA A 49 3.027 -9.698 -2.887 1.00 0.35 C ATOM 0 H ALA A 49 0.646 -9.712 -3.012 1.00 0.26 H new ATOM 0 HA ALA A 49 2.442 -8.690 -1.037 1.00 0.29 H new ATOM 0 HB1 ALA A 49 4.094 -9.576 -2.701 1.00 0.35 H new ATOM 0 HB2 ALA A 49 2.714 -10.690 -2.562 1.00 0.35 H new ATOM 0 HB3 ALA A 49 2.829 -9.586 -3.953 1.00 0.35 H new ATOM 478 N LEU A 50 2.284 -6.840 -3.756 1.00 0.26 N ATOM 479 CA LEU A 50 2.669 -5.481 -4.245 1.00 0.28 C ATOM 480 C LEU A 50 2.053 -4.388 -3.362 1.00 0.25 C ATOM 481 O LEU A 50 2.760 -3.595 -2.766 1.00 0.29 O ATOM 482 CB LEU A 50 2.121 -5.392 -5.669 1.00 0.35 C ATOM 483 CG LEU A 50 2.739 -4.185 -6.378 1.00 0.45 C ATOM 484 CD1 LEU A 50 4.260 -4.353 -6.448 1.00 1.03 C ATOM 485 CD2 LEU A 50 2.173 -4.085 -7.797 1.00 0.92 C ATOM 0 H LEU A 50 1.733 -7.399 -4.408 1.00 0.26 H new ATOM 0 HA LEU A 50 3.749 -5.334 -4.214 1.00 0.28 H new ATOM 0 HB2 LEU A 50 2.351 -6.306 -6.217 1.00 0.35 H new ATOM 0 HB3 LEU A 50 1.035 -5.298 -5.647 1.00 0.35 H new ATOM 0 HG LEU A 50 2.500 -3.278 -5.823 1.00 0.45 H new ATOM 0 HD11 LEU A 50 4.698 -3.492 -6.953 1.00 1.03 H new ATOM 0 HD12 LEU A 50 4.665 -4.426 -5.439 1.00 1.03 H new ATOM 0 HD13 LEU A 50 4.501 -5.260 -7.002 1.00 1.03 H new ATOM 0 HD21 LEU A 50 2.612 -3.226 -8.304 1.00 0.92 H new ATOM 0 HD22 LEU A 50 2.413 -4.994 -8.349 1.00 0.92 H new ATOM 0 HD23 LEU A 50 1.091 -3.964 -7.749 1.00 0.92 H new ATOM 497 N VAL A 51 0.744 -4.334 -3.276 1.00 0.23 N ATOM 498 CA VAL A 51 0.095 -3.287 -2.438 1.00 0.23 C ATOM 499 C VAL A 51 0.529 -3.439 -0.974 1.00 0.21 C ATOM 500 O VAL A 51 0.716 -2.462 -0.281 1.00 0.27 O ATOM 501 CB VAL A 51 -1.416 -3.502 -2.621 1.00 0.26 C ATOM 502 CG1 VAL A 51 -2.183 -2.891 -1.450 1.00 0.32 C ATOM 503 CG2 VAL A 51 -1.859 -2.829 -3.923 1.00 0.34 C ATOM 0 H VAL A 51 0.103 -4.970 -3.750 1.00 0.23 H new ATOM 0 HA VAL A 51 0.379 -2.276 -2.731 1.00 0.23 H new ATOM 0 HB VAL A 51 -1.625 -4.571 -2.660 1.00 0.26 H new ATOM 0 HG11 VAL A 51 -3.252 -3.050 -1.592 1.00 0.32 H new ATOM 0 HG12 VAL A 51 -1.866 -3.365 -0.521 1.00 0.32 H new ATOM 0 HG13 VAL A 51 -1.979 -1.821 -1.400 1.00 0.32 H new ATOM 0 HG21 VAL A 51 -2.930 -2.976 -4.062 1.00 0.34 H new ATOM 0 HG22 VAL A 51 -1.642 -1.762 -3.873 1.00 0.34 H new ATOM 0 HG23 VAL A 51 -1.320 -3.270 -4.762 1.00 0.34 H new ATOM 513 N ALA A 52 0.704 -4.651 -0.504 1.00 0.20 N ATOM 514 CA ALA A 52 1.142 -4.849 0.915 1.00 0.23 C ATOM 515 C ALA A 52 2.519 -4.216 1.118 1.00 0.22 C ATOM 516 O ALA A 52 2.727 -3.437 2.033 1.00 0.25 O ATOM 517 CB ALA A 52 1.213 -6.363 1.116 1.00 0.28 C ATOM 0 H ALA A 52 0.563 -5.508 -1.038 1.00 0.20 H new ATOM 0 HA ALA A 52 0.459 -4.386 1.627 1.00 0.23 H new ATOM 0 HB1 ALA A 52 1.528 -6.580 2.136 1.00 0.28 H new ATOM 0 HB2 ALA A 52 0.230 -6.800 0.939 1.00 0.28 H new ATOM 0 HB3 ALA A 52 1.931 -6.790 0.416 1.00 0.28 H new ATOM 523 N PHE A 53 3.455 -4.534 0.253 1.00 0.24 N ATOM 524 CA PHE A 53 4.826 -3.943 0.357 1.00 0.28 C ATOM 525 C PHE A 53 4.703 -2.424 0.501 1.00 0.27 C ATOM 526 O PHE A 53 5.139 -1.836 1.481 1.00 0.30 O ATOM 527 CB PHE A 53 5.506 -4.318 -0.964 1.00 0.35 C ATOM 528 CG PHE A 53 6.874 -3.682 -1.043 1.00 0.33 C ATOM 529 CD1 PHE A 53 7.791 -3.856 -0.002 1.00 0.39 C ATOM 530 CD2 PHE A 53 7.222 -2.919 -2.164 1.00 0.61 C ATOM 531 CE1 PHE A 53 9.058 -3.266 -0.080 1.00 0.50 C ATOM 532 CE2 PHE A 53 8.489 -2.330 -2.242 1.00 0.70 C ATOM 533 CZ PHE A 53 9.407 -2.503 -1.200 1.00 0.58 C ATOM 0 H PHE A 53 3.325 -5.182 -0.524 1.00 0.24 H new ATOM 0 HA PHE A 53 5.392 -4.304 1.215 1.00 0.28 H new ATOM 0 HB2 PHE A 53 5.595 -5.402 -1.041 1.00 0.35 H new ATOM 0 HB3 PHE A 53 4.894 -3.988 -1.803 1.00 0.35 H new ATOM 0 HD1 PHE A 53 7.522 -4.445 0.862 1.00 0.39 H new ATOM 0 HD2 PHE A 53 6.513 -2.785 -2.968 1.00 0.61 H new ATOM 0 HE1 PHE A 53 9.766 -3.400 0.724 1.00 0.50 H new ATOM 0 HE2 PHE A 53 8.758 -1.742 -3.107 1.00 0.70 H new ATOM 0 HZ PHE A 53 10.385 -2.048 -1.260 1.00 0.58 H new ATOM 543 N LEU A 54 4.074 -1.793 -0.455 1.00 0.27 N ATOM 544 CA LEU A 54 3.880 -0.320 -0.372 1.00 0.30 C ATOM 545 C LEU A 54 3.095 0.006 0.903 1.00 0.28 C ATOM 546 O LEU A 54 3.350 0.991 1.562 1.00 0.33 O ATOM 547 CB LEU A 54 3.075 0.049 -1.622 1.00 0.33 C ATOM 548 CG LEU A 54 4.022 0.318 -2.798 1.00 0.40 C ATOM 549 CD1 LEU A 54 4.942 1.496 -2.465 1.00 0.48 C ATOM 550 CD2 LEU A 54 4.870 -0.927 -3.071 1.00 0.47 C ATOM 0 H LEU A 54 3.687 -2.236 -1.289 1.00 0.27 H new ATOM 0 HA LEU A 54 4.818 0.234 -0.331 1.00 0.30 H new ATOM 0 HB2 LEU A 54 2.390 -0.760 -1.875 1.00 0.33 H new ATOM 0 HB3 LEU A 54 2.467 0.932 -1.425 1.00 0.33 H new ATOM 0 HG LEU A 54 3.432 0.559 -3.683 1.00 0.40 H new ATOM 0 HD11 LEU A 54 5.612 1.682 -3.304 1.00 0.48 H new ATOM 0 HD12 LEU A 54 4.341 2.385 -2.276 1.00 0.48 H new ATOM 0 HD13 LEU A 54 5.529 1.260 -1.577 1.00 0.48 H new ATOM 0 HD21 LEU A 54 5.542 -0.733 -3.907 1.00 0.47 H new ATOM 0 HD22 LEU A 54 5.455 -1.170 -2.184 1.00 0.47 H new ATOM 0 HD23 LEU A 54 4.218 -1.765 -3.317 1.00 0.47 H new ATOM 562 N ARG A 55 2.155 -0.839 1.260 1.00 0.26 N ATOM 563 CA ARG A 55 1.351 -0.608 2.501 1.00 0.28 C ATOM 564 C ARG A 55 2.207 -0.846 3.749 1.00 0.28 C ATOM 565 O ARG A 55 1.776 -0.597 4.859 1.00 0.39 O ATOM 566 CB ARG A 55 0.204 -1.617 2.439 1.00 0.31 C ATOM 567 CG ARG A 55 -0.812 -1.303 3.541 1.00 0.36 C ATOM 568 CD ARG A 55 -0.676 -2.321 4.676 1.00 0.50 C ATOM 569 NE ARG A 55 -1.400 -1.711 5.825 1.00 0.49 N ATOM 570 CZ ARG A 55 -0.877 -1.747 7.021 1.00 0.53 C ATOM 571 NH1 ARG A 55 -0.071 -0.797 7.410 1.00 0.49 N ATOM 572 NH2 ARG A 55 -1.162 -2.732 7.828 1.00 0.77 N ATOM 0 H ARG A 55 1.910 -1.682 0.741 1.00 0.26 H new ATOM 0 HA ARG A 55 0.985 0.417 2.559 1.00 0.28 H new ATOM 0 HB2 ARG A 55 -0.278 -1.576 1.462 1.00 0.31 H new ATOM 0 HB3 ARG A 55 0.589 -2.629 2.562 1.00 0.31 H new ATOM 0 HG2 ARG A 55 -0.649 -0.295 3.923 1.00 0.36 H new ATOM 0 HG3 ARG A 55 -1.823 -1.330 3.135 1.00 0.36 H new ATOM 0 HD2 ARG A 55 -1.111 -3.281 4.400 1.00 0.50 H new ATOM 0 HD3 ARG A 55 0.371 -2.503 4.920 1.00 0.50 H new ATOM 0 HE ARG A 55 -2.305 -1.265 5.678 1.00 0.49 H new ATOM 0 HH11 ARG A 55 0.150 -0.026 6.780 1.00 0.49 H new ATOM 0 HH12 ARG A 55 0.337 -0.825 8.344 1.00 0.49 H new ATOM 0 HH21 ARG A 55 -1.793 -3.474 7.525 1.00 0.77 H new ATOM 0 HH22 ARG A 55 -0.754 -2.760 8.762 1.00 0.77 H new ATOM 586 N PHE A 56 3.415 -1.322 3.580 1.00 0.24 N ATOM 587 CA PHE A 56 4.290 -1.560 4.763 1.00 0.25 C ATOM 588 C PHE A 56 5.355 -0.463 4.867 1.00 0.26 C ATOM 589 O PHE A 56 5.938 -0.263 5.915 1.00 0.30 O ATOM 590 CB PHE A 56 4.947 -2.920 4.515 1.00 0.26 C ATOM 591 CG PHE A 56 4.285 -3.964 5.385 1.00 0.30 C ATOM 592 CD1 PHE A 56 2.973 -4.379 5.115 1.00 0.40 C ATOM 593 CD2 PHE A 56 4.985 -4.517 6.463 1.00 0.67 C ATOM 594 CE1 PHE A 56 2.365 -5.345 5.925 1.00 0.45 C ATOM 595 CE2 PHE A 56 4.376 -5.483 7.272 1.00 0.80 C ATOM 596 CZ PHE A 56 3.066 -5.897 7.003 1.00 0.57 C ATOM 0 H PHE A 56 3.830 -1.554 2.678 1.00 0.24 H new ATOM 0 HA PHE A 56 3.726 -1.546 5.696 1.00 0.25 H new ATOM 0 HB2 PHE A 56 4.854 -3.195 3.464 1.00 0.26 H new ATOM 0 HB3 PHE A 56 6.013 -2.867 4.738 1.00 0.26 H new ATOM 0 HD1 PHE A 56 2.432 -3.954 4.283 1.00 0.40 H new ATOM 0 HD2 PHE A 56 5.996 -4.198 6.671 1.00 0.67 H new ATOM 0 HE1 PHE A 56 1.354 -5.665 5.718 1.00 0.45 H new ATOM 0 HE2 PHE A 56 4.917 -5.909 8.104 1.00 0.80 H new ATOM 0 HZ PHE A 56 2.596 -6.643 7.628 1.00 0.57 H new ATOM 606 N LEU A 57 5.629 0.237 3.788 1.00 0.27 N ATOM 607 CA LEU A 57 6.684 1.304 3.844 1.00 0.31 C ATOM 608 C LEU A 57 6.088 2.722 3.809 1.00 0.35 C ATOM 609 O LEU A 57 6.524 3.592 4.540 1.00 0.43 O ATOM 610 CB LEU A 57 7.559 1.069 2.608 1.00 0.36 C ATOM 611 CG LEU A 57 7.904 -0.421 2.483 1.00 0.33 C ATOM 612 CD1 LEU A 57 8.856 -0.630 1.302 1.00 0.43 C ATOM 613 CD2 LEU A 57 8.573 -0.914 3.774 1.00 0.33 C ATOM 0 H LEU A 57 5.175 0.118 2.883 1.00 0.27 H new ATOM 0 HA LEU A 57 7.243 1.242 4.778 1.00 0.31 H new ATOM 0 HB2 LEU A 57 7.036 1.406 1.713 1.00 0.36 H new ATOM 0 HB3 LEU A 57 8.474 1.657 2.683 1.00 0.36 H new ATOM 0 HG LEU A 57 6.987 -0.986 2.317 1.00 0.33 H new ATOM 0 HD11 LEU A 57 9.100 -1.689 1.214 1.00 0.43 H new ATOM 0 HD12 LEU A 57 8.376 -0.291 0.384 1.00 0.43 H new ATOM 0 HD13 LEU A 57 9.770 -0.059 1.466 1.00 0.43 H new ATOM 0 HD21 LEU A 57 8.815 -1.972 3.677 1.00 0.33 H new ATOM 0 HD22 LEU A 57 9.488 -0.347 3.949 1.00 0.33 H new ATOM 0 HD23 LEU A 57 7.892 -0.773 4.613 1.00 0.33 H new ATOM 625 N THR A 58 5.121 2.976 2.958 1.00 0.35 N ATOM 626 CA THR A 58 4.537 4.356 2.876 1.00 0.43 C ATOM 627 C THR A 58 3.004 4.314 2.797 1.00 0.38 C ATOM 628 O THR A 58 2.341 5.316 2.990 1.00 0.44 O ATOM 629 CB THR A 58 5.122 4.942 1.591 1.00 0.51 C ATOM 630 OG1 THR A 58 6.539 4.960 1.684 1.00 0.78 O ATOM 631 CG2 THR A 58 4.603 6.365 1.392 1.00 0.76 C ATOM 0 H THR A 58 4.712 2.293 2.320 1.00 0.35 H new ATOM 0 HA THR A 58 4.776 4.950 3.758 1.00 0.43 H new ATOM 0 HB THR A 58 4.821 4.328 0.742 1.00 0.51 H new ATOM 0 HG1 THR A 58 6.916 5.334 0.860 1.00 0.78 H new ATOM 0 HG21 THR A 58 5.022 6.780 0.475 1.00 0.76 H new ATOM 0 HG22 THR A 58 3.516 6.349 1.319 1.00 0.76 H new ATOM 0 HG23 THR A 58 4.901 6.983 2.239 1.00 0.76 H new ATOM 639 N ILE A 59 2.445 3.167 2.517 1.00 0.33 N ATOM 640 CA ILE A 59 0.961 3.029 2.422 1.00 0.32 C ATOM 641 C ILE A 59 0.353 4.040 1.436 1.00 0.33 C ATOM 642 O ILE A 59 -0.464 4.859 1.816 1.00 0.39 O ATOM 643 CB ILE A 59 0.450 3.274 3.839 1.00 0.39 C ATOM 644 CG1 ILE A 59 1.099 2.271 4.793 1.00 0.40 C ATOM 645 CG2 ILE A 59 -1.074 3.100 3.867 1.00 0.45 C ATOM 646 CD1 ILE A 59 2.311 2.915 5.469 1.00 0.46 C ATOM 0 H ILE A 59 2.963 2.305 2.347 1.00 0.33 H new ATOM 0 HA ILE A 59 0.677 2.047 2.044 1.00 0.32 H new ATOM 0 HB ILE A 59 0.705 4.287 4.151 1.00 0.39 H new ATOM 0 HG12 ILE A 59 0.378 1.951 5.545 1.00 0.40 H new ATOM 0 HG13 ILE A 59 1.406 1.380 4.246 1.00 0.40 H new ATOM 0 HG21 ILE A 59 -1.442 3.274 4.878 1.00 0.45 H new ATOM 0 HG22 ILE A 59 -1.534 3.815 3.185 1.00 0.45 H new ATOM 0 HG23 ILE A 59 -1.330 2.087 3.558 1.00 0.45 H new ATOM 0 HD11 ILE A 59 2.772 2.198 6.149 1.00 0.46 H new ATOM 0 HD12 ILE A 59 3.035 3.213 4.711 1.00 0.46 H new ATOM 0 HD13 ILE A 59 1.991 3.793 6.030 1.00 0.46 H new ATOM 658 N PRO A 60 0.754 3.935 0.192 1.00 0.32 N ATOM 659 CA PRO A 60 0.234 4.800 -0.878 1.00 0.35 C ATOM 660 C PRO A 60 -0.754 4.009 -1.769 1.00 0.31 C ATOM 661 O PRO A 60 -0.497 3.828 -2.946 1.00 0.34 O ATOM 662 CB PRO A 60 1.512 5.099 -1.663 1.00 0.40 C ATOM 663 CG PRO A 60 2.430 3.926 -1.390 1.00 0.39 C ATOM 664 CD PRO A 60 1.757 3.044 -0.359 1.00 0.32 C ATOM 0 HA PRO A 60 -0.303 5.681 -0.526 1.00 0.35 H new ATOM 0 HB2 PRO A 60 1.305 5.198 -2.729 1.00 0.40 H new ATOM 0 HB3 PRO A 60 1.964 6.036 -1.338 1.00 0.40 H new ATOM 0 HG2 PRO A 60 2.619 3.367 -2.306 1.00 0.39 H new ATOM 0 HG3 PRO A 60 3.396 4.274 -1.024 1.00 0.39 H new ATOM 0 HD2 PRO A 60 1.311 2.157 -0.809 1.00 0.32 H new ATOM 0 HD3 PRO A 60 2.457 2.698 0.401 1.00 0.32 H new ATOM 672 N PRO A 61 -1.847 3.541 -1.199 1.00 0.31 N ATOM 673 CA PRO A 61 -2.821 2.759 -1.999 1.00 0.31 C ATOM 674 C PRO A 61 -3.540 3.671 -2.990 1.00 0.32 C ATOM 675 O PRO A 61 -4.383 4.465 -2.617 1.00 0.39 O ATOM 676 CB PRO A 61 -3.789 2.202 -0.962 1.00 0.35 C ATOM 677 CG PRO A 61 -3.694 3.141 0.190 1.00 0.39 C ATOM 678 CD PRO A 61 -2.288 3.687 0.194 1.00 0.40 C ATOM 0 HA PRO A 61 -2.355 1.971 -2.591 1.00 0.31 H new ATOM 0 HB2 PRO A 61 -4.805 2.158 -1.353 1.00 0.35 H new ATOM 0 HB3 PRO A 61 -3.515 1.188 -0.670 1.00 0.35 H new ATOM 0 HG2 PRO A 61 -4.421 3.947 0.092 1.00 0.39 H new ATOM 0 HG3 PRO A 61 -3.912 2.627 1.126 1.00 0.39 H new ATOM 0 HD2 PRO A 61 -2.265 4.729 0.513 1.00 0.40 H new ATOM 0 HD3 PRO A 61 -1.646 3.131 0.877 1.00 0.40 H new ATOM 686 N THR A 62 -3.204 3.566 -4.250 1.00 0.31 N ATOM 687 CA THR A 62 -3.858 4.427 -5.278 1.00 0.34 C ATOM 688 C THR A 62 -5.381 4.216 -5.243 1.00 0.31 C ATOM 689 O THR A 62 -5.871 3.325 -4.576 1.00 0.32 O ATOM 690 CB THR A 62 -3.222 3.993 -6.614 1.00 0.38 C ATOM 691 OG1 THR A 62 -2.909 5.147 -7.377 1.00 0.50 O ATOM 692 CG2 THR A 62 -4.171 3.102 -7.419 1.00 0.35 C ATOM 0 H THR A 62 -2.503 2.919 -4.611 1.00 0.31 H new ATOM 0 HA THR A 62 -3.709 5.494 -5.112 1.00 0.34 H new ATOM 0 HB THR A 62 -2.319 3.423 -6.394 1.00 0.38 H new ATOM 0 HG1 THR A 62 -2.503 4.877 -8.227 1.00 0.50 H new ATOM 0 HG21 THR A 62 -3.693 2.813 -8.355 1.00 0.35 H new ATOM 0 HG22 THR A 62 -4.408 2.208 -6.842 1.00 0.35 H new ATOM 0 HG23 THR A 62 -5.089 3.649 -7.634 1.00 0.35 H new ATOM 700 N ALA A 63 -6.124 5.044 -5.937 1.00 0.35 N ATOM 701 CA ALA A 63 -7.621 4.923 -5.938 1.00 0.35 C ATOM 702 C ALA A 63 -8.071 3.481 -6.213 1.00 0.32 C ATOM 703 O ALA A 63 -8.929 2.952 -5.532 1.00 0.33 O ATOM 704 CB ALA A 63 -8.085 5.849 -7.062 1.00 0.41 C ATOM 0 H ALA A 63 -5.757 5.805 -6.508 1.00 0.35 H new ATOM 0 HA ALA A 63 -8.045 5.191 -4.970 1.00 0.35 H new ATOM 0 HB1 ALA A 63 -9.172 5.820 -7.132 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -7.762 6.868 -6.850 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -7.652 5.520 -8.007 1.00 0.41 H new ATOM 710 N GLY A 64 -7.510 2.858 -7.216 1.00 0.33 N ATOM 711 CA GLY A 64 -7.900 1.459 -7.567 1.00 0.32 C ATOM 712 C GLY A 64 -7.801 0.532 -6.352 1.00 0.28 C ATOM 713 O GLY A 64 -8.704 -0.227 -6.085 1.00 0.29 O ATOM 0 H GLY A 64 -6.790 3.263 -7.814 1.00 0.33 H new ATOM 0 HA2 GLY A 64 -8.920 1.449 -7.952 1.00 0.32 H new ATOM 0 HA3 GLY A 64 -7.255 1.088 -8.363 1.00 0.32 H new ATOM 717 N ILE A 65 -6.711 0.571 -5.626 1.00 0.28 N ATOM 718 CA ILE A 65 -6.559 -0.329 -4.435 1.00 0.26 C ATOM 719 C ILE A 65 -7.804 -0.265 -3.544 1.00 0.26 C ATOM 720 O ILE A 65 -8.227 -1.260 -2.988 1.00 0.29 O ATOM 721 CB ILE A 65 -5.330 0.189 -3.671 1.00 0.27 C ATOM 722 CG1 ILE A 65 -4.112 0.275 -4.604 1.00 0.29 C ATOM 723 CG2 ILE A 65 -5.007 -0.765 -2.517 1.00 0.30 C ATOM 724 CD1 ILE A 65 -4.028 -0.982 -5.473 1.00 0.29 C ATOM 0 H ILE A 65 -5.918 1.187 -5.805 1.00 0.28 H new ATOM 0 HA ILE A 65 -6.438 -1.369 -4.738 1.00 0.26 H new ATOM 0 HB ILE A 65 -5.554 1.183 -3.285 1.00 0.27 H new ATOM 0 HG12 ILE A 65 -4.190 1.160 -5.236 1.00 0.29 H new ATOM 0 HG13 ILE A 65 -3.200 0.382 -4.016 1.00 0.29 H new ATOM 0 HG21 ILE A 65 -4.135 -0.398 -1.975 1.00 0.30 H new ATOM 0 HG22 ILE A 65 -5.859 -0.819 -1.840 1.00 0.30 H new ATOM 0 HG23 ILE A 65 -4.796 -1.758 -2.914 1.00 0.30 H new ATOM 0 HD11 ILE A 65 -3.162 -0.912 -6.131 1.00 0.29 H new ATOM 0 HD12 ILE A 65 -3.929 -1.860 -4.834 1.00 0.29 H new ATOM 0 HD13 ILE A 65 -4.933 -1.070 -6.073 1.00 0.29 H new ATOM 736 N LEU A 66 -8.395 0.896 -3.413 1.00 0.27 N ATOM 737 CA LEU A 66 -9.613 1.026 -2.558 1.00 0.29 C ATOM 738 C LEU A 66 -10.859 0.633 -3.355 1.00 0.29 C ATOM 739 O LEU A 66 -11.648 -0.185 -2.920 1.00 0.35 O ATOM 740 CB LEU A 66 -9.678 2.505 -2.155 1.00 0.34 C ATOM 741 CG LEU A 66 -8.593 2.839 -1.118 1.00 0.37 C ATOM 742 CD1 LEU A 66 -8.719 1.922 0.104 1.00 0.45 C ATOM 743 CD2 LEU A 66 -7.209 2.665 -1.746 1.00 0.41 C ATOM 0 H LEU A 66 -8.086 1.759 -3.861 1.00 0.27 H new ATOM 0 HA LEU A 66 -9.570 0.374 -1.685 1.00 0.29 H new ATOM 0 HB2 LEU A 66 -9.549 3.132 -3.037 1.00 0.34 H new ATOM 0 HB3 LEU A 66 -10.662 2.731 -1.744 1.00 0.34 H new ATOM 0 HG LEU A 66 -8.723 3.873 -0.798 1.00 0.37 H new ATOM 0 HD11 LEU A 66 -7.943 2.172 0.828 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -9.699 2.057 0.561 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -8.604 0.884 -0.207 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -6.442 2.902 -1.008 1.00 0.41 H new ATOM 0 HD22 LEU A 66 -7.087 1.634 -2.077 1.00 0.41 H new ATOM 0 HD23 LEU A 66 -7.110 3.335 -2.600 1.00 0.41 H new ATOM 755 N LYS A 67 -11.038 1.208 -4.519 1.00 0.29 N ATOM 756 CA LYS A 67 -12.232 0.868 -5.354 1.00 0.32 C ATOM 757 C LYS A 67 -12.255 -0.636 -5.635 1.00 0.30 C ATOM 758 O LYS A 67 -13.304 -1.244 -5.733 1.00 0.39 O ATOM 759 CB LYS A 67 -12.049 1.655 -6.652 1.00 0.36 C ATOM 760 CG LYS A 67 -12.558 3.085 -6.456 1.00 0.43 C ATOM 761 CD LYS A 67 -14.081 3.107 -6.589 1.00 0.50 C ATOM 762 CE LYS A 67 -14.470 2.904 -8.055 1.00 0.67 C ATOM 763 NZ LYS A 67 -15.690 2.051 -8.014 1.00 0.88 N ATOM 0 H LYS A 67 -10.408 1.899 -4.927 1.00 0.29 H new ATOM 0 HA LYS A 67 -13.171 1.119 -4.860 1.00 0.32 H new ATOM 0 HB2 LYS A 67 -10.997 1.668 -6.937 1.00 0.36 H new ATOM 0 HB3 LYS A 67 -12.593 1.171 -7.463 1.00 0.36 H new ATOM 0 HG2 LYS A 67 -12.263 3.456 -5.475 1.00 0.43 H new ATOM 0 HG3 LYS A 67 -12.108 3.747 -7.196 1.00 0.43 H new ATOM 0 HD2 LYS A 67 -14.521 2.323 -5.973 1.00 0.50 H new ATOM 0 HD3 LYS A 67 -14.474 4.056 -6.226 1.00 0.50 H new ATOM 0 HE2 LYS A 67 -14.670 3.856 -8.546 1.00 0.67 H new ATOM 0 HE3 LYS A 67 -13.668 2.420 -8.613 1.00 0.67 H new ATOM 0 HZ1 LYS A 67 -16.018 1.867 -8.984 1.00 0.88 H new ATOM 0 HZ2 LYS A 67 -15.467 1.149 -7.547 1.00 0.88 H new ATOM 0 HZ3 LYS A 67 -16.438 2.540 -7.482 1.00 0.88 H new ATOM 777 N ARG A 68 -11.099 -1.234 -5.751 1.00 0.26 N ATOM 778 CA ARG A 68 -11.024 -2.698 -6.010 1.00 0.27 C ATOM 779 C ARG A 68 -11.151 -3.453 -4.680 1.00 0.26 C ATOM 780 O ARG A 68 -11.643 -4.563 -4.630 1.00 0.29 O ATOM 781 CB ARG A 68 -9.654 -2.919 -6.677 1.00 0.29 C ATOM 782 CG ARG A 68 -8.578 -3.221 -5.630 1.00 0.32 C ATOM 783 CD ARG A 68 -7.210 -3.293 -6.316 1.00 0.37 C ATOM 784 NE ARG A 68 -7.160 -4.648 -6.933 1.00 0.45 N ATOM 785 CZ ARG A 68 -7.640 -4.838 -8.132 1.00 0.47 C ATOM 786 NH1 ARG A 68 -7.357 -3.999 -9.091 1.00 0.48 N ATOM 787 NH2 ARG A 68 -8.404 -5.868 -8.373 1.00 0.62 N ATOM 0 H ARG A 68 -10.196 -0.765 -5.676 1.00 0.26 H new ATOM 0 HA ARG A 68 -11.824 -3.066 -6.652 1.00 0.27 H new ATOM 0 HB2 ARG A 68 -9.719 -3.745 -7.386 1.00 0.29 H new ATOM 0 HB3 ARG A 68 -9.375 -2.032 -7.246 1.00 0.29 H new ATOM 0 HG2 ARG A 68 -8.573 -2.446 -4.863 1.00 0.32 H new ATOM 0 HG3 ARG A 68 -8.796 -4.164 -5.129 1.00 0.32 H new ATOM 0 HD2 ARG A 68 -7.104 -2.512 -7.069 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -6.401 -3.156 -5.599 1.00 0.37 H new ATOM 0 HE ARG A 68 -6.751 -5.428 -6.418 1.00 0.45 H new ATOM 0 HH11 ARG A 68 -6.760 -3.193 -8.904 1.00 0.48 H new ATOM 0 HH12 ARG A 68 -7.733 -4.149 -10.027 1.00 0.48 H new ATOM 0 HH21 ARG A 68 -8.626 -6.524 -7.625 1.00 0.62 H new ATOM 0 HH22 ARG A 68 -8.779 -6.017 -9.310 1.00 0.62 H new ATOM 801 N TRP A 69 -10.713 -2.837 -3.608 1.00 0.25 N ATOM 802 CA TRP A 69 -10.798 -3.474 -2.255 1.00 0.26 C ATOM 803 C TRP A 69 -12.200 -4.034 -1.986 1.00 0.26 C ATOM 804 O TRP A 69 -12.351 -5.065 -1.358 1.00 0.32 O ATOM 805 CB TRP A 69 -10.519 -2.327 -1.287 1.00 0.27 C ATOM 806 CG TRP A 69 -9.860 -2.836 -0.049 1.00 0.25 C ATOM 807 CD1 TRP A 69 -10.350 -2.671 1.198 1.00 0.29 C ATOM 808 CD2 TRP A 69 -8.606 -3.571 0.097 1.00 0.24 C ATOM 809 NE1 TRP A 69 -9.481 -3.248 2.101 1.00 0.31 N ATOM 810 CE2 TRP A 69 -8.392 -3.813 1.475 1.00 0.27 C ATOM 811 CE3 TRP A 69 -7.640 -4.044 -0.815 1.00 0.27 C ATOM 812 CZ2 TRP A 69 -7.267 -4.494 1.933 1.00 0.29 C ATOM 813 CZ3 TRP A 69 -6.507 -4.731 -0.353 1.00 0.30 C ATOM 814 CH2 TRP A 69 -6.323 -4.952 1.018 1.00 0.31 C ATOM 0 H TRP A 69 -10.294 -1.907 -3.613 1.00 0.25 H new ATOM 0 HA TRP A 69 -10.104 -4.309 -2.159 1.00 0.26 H new ATOM 0 HB2 TRP A 69 -9.881 -1.585 -1.767 1.00 0.27 H new ATOM 0 HB3 TRP A 69 -11.452 -1.826 -1.029 1.00 0.27 H new ATOM 0 HD1 TRP A 69 -11.273 -2.169 1.448 1.00 0.29 H new ATOM 0 HE1 TRP A 69 -9.627 -3.255 3.110 1.00 0.31 H new ATOM 0 HE3 TRP A 69 -7.773 -3.877 -1.874 1.00 0.27 H new ATOM 0 HZ2 TRP A 69 -7.128 -4.666 2.990 1.00 0.29 H new ATOM 0 HZ3 TRP A 69 -5.773 -5.091 -1.058 1.00 0.30 H new ATOM 0 HH2 TRP A 69 -5.447 -5.479 1.366 1.00 0.31 H new ATOM 825 N GLY A 70 -13.224 -3.350 -2.438 1.00 0.29 N ATOM 826 CA GLY A 70 -14.619 -3.825 -2.188 1.00 0.36 C ATOM 827 C GLY A 70 -15.283 -4.266 -3.494 1.00 0.35 C ATOM 828 O GLY A 70 -16.438 -3.969 -3.737 1.00 0.41 O ATOM 0 H GLY A 70 -13.152 -2.482 -2.970 1.00 0.29 H new ATOM 0 HA2 GLY A 70 -14.604 -4.656 -1.483 1.00 0.36 H new ATOM 0 HA3 GLY A 70 -15.203 -3.028 -1.729 1.00 0.36 H new ATOM 832 N THR A 71 -14.574 -4.980 -4.329 1.00 0.33 N ATOM 833 CA THR A 71 -15.181 -5.451 -5.611 1.00 0.35 C ATOM 834 C THR A 71 -14.395 -6.644 -6.169 1.00 0.35 C ATOM 835 O THR A 71 -14.439 -6.926 -7.353 1.00 0.47 O ATOM 836 CB THR A 71 -15.121 -4.239 -6.556 1.00 0.40 C ATOM 837 OG1 THR A 71 -16.176 -4.334 -7.501 1.00 0.51 O ATOM 838 CG2 THR A 71 -13.780 -4.195 -7.297 1.00 0.43 C ATOM 0 H THR A 71 -13.604 -5.257 -4.180 1.00 0.33 H new ATOM 0 HA THR A 71 -16.206 -5.799 -5.482 1.00 0.35 H new ATOM 0 HB THR A 71 -15.223 -3.328 -5.966 1.00 0.40 H new ATOM 0 HG1 THR A 71 -16.144 -3.563 -8.105 1.00 0.51 H new ATOM 0 HG21 THR A 71 -13.759 -3.330 -7.960 1.00 0.43 H new ATOM 0 HG22 THR A 71 -12.967 -4.118 -6.575 1.00 0.43 H new ATOM 0 HG23 THR A 71 -13.659 -5.105 -7.884 1.00 0.43 H new ATOM 846 N ILE A 72 -13.685 -7.349 -5.323 1.00 0.33 N ATOM 847 CA ILE A 72 -12.901 -8.527 -5.796 1.00 0.34 C ATOM 848 C ILE A 72 -13.570 -9.828 -5.323 1.00 0.33 C ATOM 849 O ILE A 72 -14.757 -10.019 -5.516 1.00 0.42 O ATOM 850 CB ILE A 72 -11.504 -8.350 -5.186 1.00 0.35 C ATOM 851 CG1 ILE A 72 -11.603 -8.292 -3.660 1.00 0.34 C ATOM 852 CG2 ILE A 72 -10.876 -7.053 -5.702 1.00 0.39 C ATOM 853 CD1 ILE A 72 -10.302 -8.819 -3.053 1.00 0.36 C ATOM 0 H ILE A 72 -13.616 -7.157 -4.324 1.00 0.33 H new ATOM 0 HA ILE A 72 -12.848 -8.589 -6.883 1.00 0.34 H new ATOM 0 HB ILE A 72 -10.882 -9.197 -5.475 1.00 0.35 H new ATOM 0 HG12 ILE A 72 -11.782 -7.268 -3.334 1.00 0.34 H new ATOM 0 HG13 ILE A 72 -12.447 -8.889 -3.315 1.00 0.34 H new ATOM 0 HG21 ILE A 72 -9.884 -6.931 -5.267 1.00 0.39 H new ATOM 0 HG22 ILE A 72 -10.793 -7.096 -6.788 1.00 0.39 H new ATOM 0 HG23 ILE A 72 -11.503 -6.207 -5.419 1.00 0.39 H new ATOM 0 HD11 ILE A 72 -10.366 -8.780 -1.966 1.00 0.36 H new ATOM 0 HD12 ILE A 72 -10.143 -9.850 -3.371 1.00 0.36 H new ATOM 0 HD13 ILE A 72 -9.468 -8.203 -3.389 1.00 0.36 H new ATOM 865 N LYS A 73 -12.825 -10.725 -4.723 1.00 0.33 N ATOM 866 CA LYS A 73 -13.420 -12.015 -4.258 1.00 0.33 C ATOM 867 C LYS A 73 -13.276 -12.171 -2.750 1.00 0.28 C ATOM 868 O LYS A 73 -14.085 -12.815 -2.110 1.00 0.31 O ATOM 869 CB LYS A 73 -12.597 -13.086 -4.971 1.00 0.36 C ATOM 870 CG LYS A 73 -13.003 -14.474 -4.477 1.00 0.40 C ATOM 871 CD LYS A 73 -13.126 -15.428 -5.675 1.00 0.50 C ATOM 872 CE LYS A 73 -14.597 -15.605 -6.097 1.00 0.55 C ATOM 873 NZ LYS A 73 -15.264 -14.289 -5.875 1.00 0.44 N ATOM 0 H LYS A 73 -11.828 -10.618 -4.535 1.00 0.33 H new ATOM 0 HA LYS A 73 -14.486 -12.076 -4.477 1.00 0.33 H new ATOM 0 HB2 LYS A 73 -12.749 -13.016 -6.048 1.00 0.36 H new ATOM 0 HB3 LYS A 73 -11.535 -12.922 -4.788 1.00 0.36 H new ATOM 0 HG2 LYS A 73 -12.262 -14.852 -3.772 1.00 0.40 H new ATOM 0 HG3 LYS A 73 -13.952 -14.419 -3.943 1.00 0.40 H new ATOM 0 HD2 LYS A 73 -12.549 -15.039 -6.514 1.00 0.50 H new ATOM 0 HD3 LYS A 73 -12.700 -16.397 -5.417 1.00 0.50 H new ATOM 0 HE2 LYS A 73 -14.667 -15.904 -7.143 1.00 0.55 H new ATOM 0 HE3 LYS A 73 -15.078 -16.387 -5.509 1.00 0.55 H new ATOM 0 HZ1 LYS A 73 -16.185 -14.281 -6.358 1.00 0.44 H new ATOM 0 HZ2 LYS A 73 -15.407 -14.140 -4.856 1.00 0.44 H new ATOM 0 HZ3 LYS A 73 -14.666 -13.528 -6.256 1.00 0.44 H new ATOM 887 N LYS A 74 -12.234 -11.609 -2.195 1.00 0.27 N ATOM 888 CA LYS A 74 -11.964 -11.721 -0.726 1.00 0.26 C ATOM 889 C LYS A 74 -11.521 -13.145 -0.386 1.00 0.26 C ATOM 890 O LYS A 74 -10.555 -13.346 0.324 1.00 0.29 O ATOM 891 CB LYS A 74 -13.264 -11.373 0.019 1.00 0.29 C ATOM 892 CG LYS A 74 -13.950 -10.160 -0.612 1.00 0.31 C ATOM 893 CD LYS A 74 -12.943 -9.029 -0.830 1.00 0.37 C ATOM 894 CE LYS A 74 -12.409 -8.556 0.522 1.00 0.39 C ATOM 895 NZ LYS A 74 -12.210 -7.087 0.368 1.00 0.36 N ATOM 0 H LYS A 74 -11.542 -11.064 -2.709 1.00 0.27 H new ATOM 0 HA LYS A 74 -11.167 -11.039 -0.429 1.00 0.26 H new ATOM 0 HB2 LYS A 74 -13.939 -12.228 -0.001 1.00 0.29 H new ATOM 0 HB3 LYS A 74 -13.043 -11.166 1.066 1.00 0.29 H new ATOM 0 HG2 LYS A 74 -14.400 -10.443 -1.564 1.00 0.31 H new ATOM 0 HG3 LYS A 74 -14.759 -9.816 0.033 1.00 0.31 H new ATOM 0 HD2 LYS A 74 -12.121 -9.375 -1.457 1.00 0.37 H new ATOM 0 HD3 LYS A 74 -13.418 -8.201 -1.356 1.00 0.37 H new ATOM 0 HE2 LYS A 74 -13.114 -8.776 1.323 1.00 0.39 H new ATOM 0 HE3 LYS A 74 -11.474 -9.056 0.774 1.00 0.39 H new ATOM 0 HZ1 LYS A 74 -11.194 -6.881 0.291 1.00 0.36 H new ATOM 0 HZ2 LYS A 74 -12.696 -6.759 -0.491 1.00 0.36 H new ATOM 0 HZ3 LYS A 74 -12.602 -6.595 1.196 1.00 0.36 H new ATOM 909 N SER A 75 -12.207 -14.137 -0.901 1.00 0.26 N ATOM 910 CA SER A 75 -11.816 -15.546 -0.616 1.00 0.28 C ATOM 911 C SER A 75 -10.391 -15.778 -1.106 1.00 0.28 C ATOM 912 O SER A 75 -9.616 -16.468 -0.479 1.00 0.32 O ATOM 913 CB SER A 75 -12.803 -16.408 -1.402 1.00 0.32 C ATOM 914 OG SER A 75 -13.952 -16.652 -0.603 1.00 0.50 O ATOM 0 H SER A 75 -13.021 -14.028 -1.506 1.00 0.26 H new ATOM 0 HA SER A 75 -11.843 -15.784 0.447 1.00 0.28 H new ATOM 0 HB2 SER A 75 -13.088 -15.904 -2.326 1.00 0.32 H new ATOM 0 HB3 SER A 75 -12.335 -17.351 -1.685 1.00 0.32 H new ATOM 0 HG SER A 75 -14.588 -17.203 -1.105 1.00 0.50 H new ATOM 920 N LYS A 76 -10.046 -15.185 -2.218 1.00 0.30 N ATOM 921 CA LYS A 76 -8.670 -15.343 -2.764 1.00 0.31 C ATOM 922 C LYS A 76 -7.707 -14.427 -2.005 1.00 0.30 C ATOM 923 O LYS A 76 -6.622 -14.830 -1.631 1.00 0.33 O ATOM 924 CB LYS A 76 -8.777 -14.921 -4.227 1.00 0.36 C ATOM 925 CG LYS A 76 -7.612 -15.518 -5.019 1.00 0.36 C ATOM 926 CD LYS A 76 -7.754 -17.043 -5.074 1.00 0.51 C ATOM 927 CE LYS A 76 -6.466 -17.699 -4.568 1.00 0.47 C ATOM 928 NZ LYS A 76 -6.285 -18.903 -5.427 1.00 0.43 N ATOM 0 H LYS A 76 -10.664 -14.594 -2.774 1.00 0.30 H new ATOM 0 HA LYS A 76 -8.291 -16.360 -2.665 1.00 0.31 H new ATOM 0 HB2 LYS A 76 -9.725 -15.259 -4.645 1.00 0.36 H new ATOM 0 HB3 LYS A 76 -8.764 -13.834 -4.304 1.00 0.36 H new ATOM 0 HG2 LYS A 76 -7.598 -15.108 -6.029 1.00 0.36 H new ATOM 0 HG3 LYS A 76 -6.665 -15.248 -4.552 1.00 0.36 H new ATOM 0 HD2 LYS A 76 -8.600 -17.362 -4.465 1.00 0.51 H new ATOM 0 HD3 LYS A 76 -7.959 -17.362 -6.096 1.00 0.51 H new ATOM 0 HE2 LYS A 76 -5.617 -17.021 -4.655 1.00 0.47 H new ATOM 0 HE3 LYS A 76 -6.549 -17.973 -3.516 1.00 0.47 H new ATOM 0 HZ1 LYS A 76 -5.421 -19.407 -5.141 1.00 0.43 H new ATOM 0 HZ2 LYS A 76 -7.105 -19.533 -5.319 1.00 0.43 H new ATOM 0 HZ3 LYS A 76 -6.202 -18.611 -6.422 1.00 0.43 H new ATOM 942 N ALA A 77 -8.103 -13.200 -1.769 1.00 0.30 N ATOM 943 CA ALA A 77 -7.218 -12.255 -1.024 1.00 0.30 C ATOM 944 C ALA A 77 -6.970 -12.790 0.385 1.00 0.28 C ATOM 945 O ALA A 77 -5.843 -12.898 0.830 1.00 0.31 O ATOM 946 CB ALA A 77 -7.988 -10.934 -0.963 1.00 0.31 C ATOM 0 H ALA A 77 -9.001 -12.813 -2.061 1.00 0.30 H new ATOM 0 HA ALA A 77 -6.248 -12.131 -1.506 1.00 0.30 H new ATOM 0 HB1 ALA A 77 -7.395 -10.192 -0.428 1.00 0.31 H new ATOM 0 HB2 ALA A 77 -8.185 -10.580 -1.975 1.00 0.31 H new ATOM 0 HB3 ALA A 77 -8.933 -11.088 -0.442 1.00 0.31 H new ATOM 952 N ILE A 78 -8.022 -13.132 1.086 1.00 0.26 N ATOM 953 CA ILE A 78 -7.862 -13.668 2.467 1.00 0.26 C ATOM 954 C ILE A 78 -7.034 -14.958 2.430 1.00 0.28 C ATOM 955 O ILE A 78 -6.133 -15.140 3.229 1.00 0.33 O ATOM 956 CB ILE A 78 -9.287 -13.926 2.965 1.00 0.26 C ATOM 957 CG1 ILE A 78 -10.036 -12.591 3.059 1.00 0.26 C ATOM 958 CG2 ILE A 78 -9.243 -14.581 4.348 1.00 0.33 C ATOM 959 CD1 ILE A 78 -11.535 -12.816 2.844 1.00 0.25 C ATOM 0 H ILE A 78 -8.985 -13.062 0.758 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.335 -12.980 3.129 1.00 0.26 H new ATOM 0 HB ILE A 78 -9.799 -14.591 2.269 1.00 0.26 H new ATOM 0 HG12 ILE A 78 -9.864 -12.136 4.035 1.00 0.26 H new ATOM 0 HG13 ILE A 78 -9.653 -11.896 2.311 1.00 0.26 H new ATOM 0 HG21 ILE A 78 -10.260 -14.762 4.697 1.00 0.33 H new ATOM 0 HG22 ILE A 78 -8.707 -15.528 4.285 1.00 0.33 H new ATOM 0 HG23 ILE A 78 -8.731 -13.920 5.048 1.00 0.33 H new ATOM 0 HD11 ILE A 78 -12.059 -11.863 2.912 1.00 0.25 H new ATOM 0 HD12 ILE A 78 -11.700 -13.251 1.858 1.00 0.25 H new ATOM 0 HD13 ILE A 78 -11.914 -13.494 3.608 1.00 0.25 H new ATOM 971 N ASN A 79 -7.308 -15.842 1.497 1.00 0.28 N ATOM 972 CA ASN A 79 -6.502 -17.100 1.410 1.00 0.31 C ATOM 973 C ASN A 79 -5.044 -16.727 1.148 1.00 0.32 C ATOM 974 O ASN A 79 -4.131 -17.309 1.704 1.00 0.37 O ATOM 975 CB ASN A 79 -7.073 -17.885 0.229 1.00 0.34 C ATOM 976 CG ASN A 79 -8.038 -18.954 0.747 1.00 0.45 C ATOM 977 OD1 ASN A 79 -7.651 -19.822 1.505 1.00 0.77 O ATOM 978 ND2 ASN A 79 -9.286 -18.929 0.369 1.00 0.66 N ATOM 0 H ASN A 79 -8.047 -15.747 0.800 1.00 0.28 H new ATOM 0 HA ASN A 79 -6.546 -17.690 2.325 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.592 -17.211 -0.453 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -6.266 -18.351 -0.336 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -9.936 -19.637 0.709 1.00 0.66 H new ATOM 0 HD22 ASN A 79 -9.612 -18.201 -0.267 1.00 0.66 H new ATOM 985 N VAL A 80 -4.831 -15.737 0.318 1.00 0.31 N ATOM 986 CA VAL A 80 -3.443 -15.283 0.022 1.00 0.34 C ATOM 987 C VAL A 80 -2.801 -14.801 1.325 1.00 0.33 C ATOM 988 O VAL A 80 -1.704 -15.198 1.674 1.00 0.39 O ATOM 989 CB VAL A 80 -3.615 -14.138 -0.996 1.00 0.37 C ATOM 990 CG1 VAL A 80 -2.667 -12.973 -0.685 1.00 0.40 C ATOM 991 CG2 VAL A 80 -3.313 -14.667 -2.399 1.00 0.53 C ATOM 0 H VAL A 80 -5.565 -15.222 -0.169 1.00 0.31 H new ATOM 0 HA VAL A 80 -2.797 -16.063 -0.382 1.00 0.34 H new ATOM 0 HB VAL A 80 -4.641 -13.774 -0.936 1.00 0.37 H new ATOM 0 HG11 VAL A 80 -2.811 -12.181 -1.420 1.00 0.40 H new ATOM 0 HG12 VAL A 80 -2.880 -12.587 0.312 1.00 0.40 H new ATOM 0 HG13 VAL A 80 -1.635 -13.323 -0.726 1.00 0.40 H new ATOM 0 HG21 VAL A 80 -3.433 -13.863 -3.125 1.00 0.53 H new ATOM 0 HG22 VAL A 80 -2.289 -15.039 -2.435 1.00 0.53 H new ATOM 0 HG23 VAL A 80 -4.002 -15.477 -2.638 1.00 0.53 H new ATOM 1001 N LEU A 81 -3.494 -13.959 2.052 1.00 0.30 N ATOM 1002 CA LEU A 81 -2.948 -13.455 3.347 1.00 0.32 C ATOM 1003 C LEU A 81 -2.697 -14.638 4.283 1.00 0.32 C ATOM 1004 O LEU A 81 -1.773 -14.633 5.075 1.00 0.33 O ATOM 1005 CB LEU A 81 -4.031 -12.533 3.911 1.00 0.36 C ATOM 1006 CG LEU A 81 -3.465 -11.120 4.073 1.00 0.45 C ATOM 1007 CD1 LEU A 81 -3.819 -10.283 2.843 1.00 0.94 C ATOM 1008 CD2 LEU A 81 -4.070 -10.475 5.321 1.00 0.54 C ATOM 0 H LEU A 81 -4.415 -13.599 1.803 1.00 0.30 H new ATOM 0 HA LEU A 81 -2.002 -12.926 3.229 1.00 0.32 H new ATOM 0 HB2 LEU A 81 -4.893 -12.517 3.244 1.00 0.36 H new ATOM 0 HB3 LEU A 81 -4.379 -12.909 4.873 1.00 0.36 H new ATOM 0 HG LEU A 81 -2.381 -11.170 4.175 1.00 0.45 H new ATOM 0 HD11 LEU A 81 -3.416 -9.277 2.959 1.00 0.94 H new ATOM 0 HD12 LEU A 81 -3.391 -10.745 1.953 1.00 0.94 H new ATOM 0 HD13 LEU A 81 -4.903 -10.230 2.739 1.00 0.94 H new ATOM 0 HD21 LEU A 81 -3.670 -9.468 5.441 1.00 0.54 H new ATOM 0 HD22 LEU A 81 -5.154 -10.425 5.215 1.00 0.54 H new ATOM 0 HD23 LEU A 81 -3.818 -11.072 6.198 1.00 0.54 H new ATOM 1020 N ARG A 82 -3.505 -15.663 4.178 1.00 0.34 N ATOM 1021 CA ARG A 82 -3.299 -16.862 5.038 1.00 0.36 C ATOM 1022 C ARG A 82 -1.984 -17.523 4.631 1.00 0.34 C ATOM 1023 O ARG A 82 -1.193 -17.933 5.461 1.00 0.36 O ATOM 1024 CB ARG A 82 -4.485 -17.782 4.744 1.00 0.42 C ATOM 1025 CG ARG A 82 -4.715 -18.717 5.933 1.00 0.75 C ATOM 1026 CD ARG A 82 -5.698 -18.070 6.913 1.00 1.03 C ATOM 1027 NE ARG A 82 -6.737 -19.108 7.159 1.00 1.57 N ATOM 1028 CZ ARG A 82 -7.863 -19.070 6.502 1.00 1.87 C ATOM 1029 NH1 ARG A 82 -8.845 -18.326 6.931 1.00 2.22 N ATOM 1030 NH2 ARG A 82 -8.007 -19.778 5.414 1.00 2.06 N ATOM 0 H ARG A 82 -4.295 -15.719 3.535 1.00 0.34 H new ATOM 0 HA ARG A 82 -3.245 -16.626 6.101 1.00 0.36 H new ATOM 0 HB2 ARG A 82 -5.380 -17.189 4.556 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -4.292 -18.364 3.843 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -5.108 -19.673 5.586 1.00 0.75 H new ATOM 0 HG3 ARG A 82 -3.769 -18.924 6.434 1.00 0.75 H new ATOM 0 HD2 ARG A 82 -5.200 -17.783 7.839 1.00 1.03 H new ATOM 0 HD3 ARG A 82 -6.136 -17.165 6.493 1.00 1.03 H new ATOM 0 HE ARG A 82 -6.568 -19.848 7.841 1.00 1.57 H new ATOM 0 HH11 ARG A 82 -8.733 -17.773 7.781 1.00 2.22 H new ATOM 0 HH12 ARG A 82 -9.725 -18.297 6.416 1.00 2.22 H new ATOM 0 HH21 ARG A 82 -7.239 -20.360 5.079 1.00 2.06 H new ATOM 0 HH22 ARG A 82 -8.887 -19.749 4.899 1.00 2.06 H new ATOM 1044 N GLY A 83 -1.741 -17.599 3.345 1.00 0.35 N ATOM 1045 CA GLY A 83 -0.472 -18.199 2.850 1.00 0.36 C ATOM 1046 C GLY A 83 0.679 -17.263 3.213 1.00 0.33 C ATOM 1047 O GLY A 83 1.789 -17.695 3.453 1.00 0.36 O ATOM 0 H GLY A 83 -2.374 -17.268 2.616 1.00 0.35 H new ATOM 0 HA2 GLY A 83 -0.317 -19.181 3.297 1.00 0.36 H new ATOM 0 HA3 GLY A 83 -0.517 -18.344 1.771 1.00 0.36 H new ATOM 1051 N PHE A 84 0.410 -15.977 3.271 1.00 0.31 N ATOM 1052 CA PHE A 84 1.477 -14.999 3.641 1.00 0.31 C ATOM 1053 C PHE A 84 2.014 -15.352 5.027 1.00 0.31 C ATOM 1054 O PHE A 84 3.207 -15.461 5.234 1.00 0.35 O ATOM 1055 CB PHE A 84 0.787 -13.631 3.669 1.00 0.34 C ATOM 1056 CG PHE A 84 1.143 -12.843 2.439 1.00 0.40 C ATOM 1057 CD1 PHE A 84 2.419 -12.286 2.307 1.00 0.67 C ATOM 1058 CD2 PHE A 84 0.187 -12.657 1.437 1.00 0.65 C ATOM 1059 CE1 PHE A 84 2.737 -11.541 1.168 1.00 0.86 C ATOM 1060 CE2 PHE A 84 0.505 -11.916 0.300 1.00 0.81 C ATOM 1061 CZ PHE A 84 1.778 -11.358 0.166 1.00 0.83 C ATOM 0 H PHE A 84 -0.503 -15.567 3.077 1.00 0.31 H new ATOM 0 HA PHE A 84 2.314 -15.006 2.943 1.00 0.31 H new ATOM 0 HB2 PHE A 84 -0.294 -13.762 3.725 1.00 0.34 H new ATOM 0 HB3 PHE A 84 1.088 -13.082 4.561 1.00 0.34 H new ATOM 0 HD1 PHE A 84 3.156 -12.431 3.083 1.00 0.67 H new ATOM 0 HD2 PHE A 84 -0.798 -13.087 1.543 1.00 0.65 H new ATOM 0 HE1 PHE A 84 3.721 -11.108 1.062 1.00 0.86 H new ATOM 0 HE2 PHE A 84 -0.232 -11.774 -0.476 1.00 0.81 H new ATOM 0 HZ PHE A 84 2.023 -10.783 -0.715 1.00 0.83 H new ATOM 1071 N ARG A 85 1.127 -15.550 5.973 1.00 0.29 N ATOM 1072 CA ARG A 85 1.562 -15.917 7.352 1.00 0.31 C ATOM 1073 C ARG A 85 2.317 -17.247 7.313 1.00 0.30 C ATOM 1074 O ARG A 85 3.389 -17.379 7.872 1.00 0.34 O ATOM 1075 CB ARG A 85 0.270 -16.057 8.158 1.00 0.35 C ATOM 1076 CG ARG A 85 0.549 -15.750 9.631 1.00 0.44 C ATOM 1077 CD ARG A 85 1.028 -17.020 10.337 1.00 0.66 C ATOM 1078 NE ARG A 85 2.005 -16.546 11.357 1.00 0.84 N ATOM 1079 CZ ARG A 85 2.236 -17.264 12.422 1.00 0.80 C ATOM 1080 NH1 ARG A 85 1.246 -17.627 13.191 1.00 0.96 N ATOM 1081 NH2 ARG A 85 3.457 -17.617 12.718 1.00 0.89 N ATOM 0 H ARG A 85 0.118 -15.472 5.846 1.00 0.29 H new ATOM 0 HA ARG A 85 2.229 -15.175 7.791 1.00 0.31 H new ATOM 0 HB2 ARG A 85 -0.488 -15.376 7.771 1.00 0.35 H new ATOM 0 HB3 ARG A 85 -0.127 -17.067 8.055 1.00 0.35 H new ATOM 0 HG2 ARG A 85 1.305 -14.969 9.714 1.00 0.44 H new ATOM 0 HG3 ARG A 85 -0.354 -15.373 10.112 1.00 0.44 H new ATOM 0 HD2 ARG A 85 0.197 -17.551 10.802 1.00 0.66 H new ATOM 0 HD3 ARG A 85 1.494 -17.711 9.634 1.00 0.66 H new ATOM 0 HE ARG A 85 2.493 -15.661 11.223 1.00 0.84 H new ATOM 0 HH11 ARG A 85 0.292 -17.350 12.960 1.00 0.96 H new ATOM 0 HH12 ARG A 85 1.426 -18.188 14.023 1.00 0.96 H new ATOM 0 HH21 ARG A 85 4.230 -17.332 12.117 1.00 0.89 H new ATOM 0 HH22 ARG A 85 3.638 -18.178 13.550 1.00 0.89 H new ATOM 1095 N LYS A 86 1.768 -18.231 6.643 1.00 0.30 N ATOM 1096 CA LYS A 86 2.460 -19.553 6.553 1.00 0.32 C ATOM 1097 C LYS A 86 3.830 -19.368 5.895 1.00 0.32 C ATOM 1098 O LYS A 86 4.805 -19.983 6.285 1.00 0.36 O ATOM 1099 CB LYS A 86 1.551 -20.427 5.684 1.00 0.35 C ATOM 1100 CG LYS A 86 0.926 -21.528 6.543 1.00 0.44 C ATOM 1101 CD LYS A 86 -0.308 -20.979 7.262 1.00 0.56 C ATOM 1102 CE LYS A 86 0.131 -20.131 8.457 1.00 0.52 C ATOM 1103 NZ LYS A 86 -0.948 -20.305 9.469 1.00 1.04 N ATOM 0 H LYS A 86 0.873 -18.176 6.156 1.00 0.30 H new ATOM 0 HA LYS A 86 2.629 -20.006 7.530 1.00 0.32 H new ATOM 0 HB2 LYS A 86 0.769 -19.818 5.230 1.00 0.35 H new ATOM 0 HB3 LYS A 86 2.125 -20.869 4.869 1.00 0.35 H new ATOM 0 HG2 LYS A 86 0.648 -22.377 5.918 1.00 0.44 H new ATOM 0 HG3 LYS A 86 1.652 -21.892 7.271 1.00 0.44 H new ATOM 0 HD2 LYS A 86 -0.904 -20.378 6.576 1.00 0.56 H new ATOM 0 HD3 LYS A 86 -0.941 -21.800 7.598 1.00 0.56 H new ATOM 0 HE2 LYS A 86 1.094 -20.464 8.845 1.00 0.52 H new ATOM 0 HE3 LYS A 86 0.245 -19.084 8.177 1.00 0.52 H new ATOM 0 HZ1 LYS A 86 -0.719 -19.752 10.320 1.00 1.04 H new ATOM 0 HZ2 LYS A 86 -1.851 -19.974 9.074 1.00 1.04 H new ATOM 0 HZ3 LYS A 86 -1.029 -21.311 9.721 1.00 1.04 H new ATOM 1117 N GLU A 87 3.907 -18.508 4.909 1.00 0.30 N ATOM 1118 CA GLU A 87 5.211 -18.259 4.227 1.00 0.32 C ATOM 1119 C GLU A 87 6.143 -17.493 5.167 1.00 0.31 C ATOM 1120 O GLU A 87 7.327 -17.764 5.238 1.00 0.34 O ATOM 1121 CB GLU A 87 4.870 -17.409 3.002 1.00 0.36 C ATOM 1122 CG GLU A 87 4.758 -18.307 1.769 1.00 0.46 C ATOM 1123 CD GLU A 87 5.176 -17.519 0.526 1.00 0.48 C ATOM 1124 OE1 GLU A 87 6.347 -17.193 0.422 1.00 0.90 O ATOM 1125 OE2 GLU A 87 4.318 -17.254 -0.300 1.00 0.54 O ATOM 0 H GLU A 87 3.121 -17.968 4.548 1.00 0.30 H new ATOM 0 HA GLU A 87 5.717 -19.183 3.946 1.00 0.32 H new ATOM 0 HB2 GLU A 87 3.932 -16.879 3.165 1.00 0.36 H new ATOM 0 HB3 GLU A 87 5.640 -16.654 2.845 1.00 0.36 H new ATOM 0 HG2 GLU A 87 5.393 -19.185 1.887 1.00 0.46 H new ATOM 0 HG3 GLU A 87 3.735 -18.666 1.659 1.00 0.46 H new ATOM 1132 N ILE A 88 5.611 -16.544 5.899 1.00 0.31 N ATOM 1133 CA ILE A 88 6.461 -15.767 6.848 1.00 0.32 C ATOM 1134 C ILE A 88 6.966 -16.711 7.946 1.00 0.32 C ATOM 1135 O ILE A 88 8.115 -16.653 8.350 1.00 0.34 O ATOM 1136 CB ILE A 88 5.544 -14.644 7.385 1.00 0.35 C ATOM 1137 CG1 ILE A 88 6.296 -13.312 7.323 1.00 0.40 C ATOM 1138 CG2 ILE A 88 5.098 -14.907 8.833 1.00 0.37 C ATOM 1139 CD1 ILE A 88 5.943 -12.585 6.024 1.00 0.63 C ATOM 0 H ILE A 88 4.627 -16.276 5.879 1.00 0.31 H new ATOM 0 HA ILE A 88 7.350 -15.330 6.392 1.00 0.32 H new ATOM 0 HB ILE A 88 4.650 -14.613 6.762 1.00 0.35 H new ATOM 0 HG12 ILE A 88 6.033 -12.694 8.181 1.00 0.40 H new ATOM 0 HG13 ILE A 88 7.371 -13.487 7.374 1.00 0.40 H new ATOM 0 HG21 ILE A 88 4.456 -14.093 9.169 1.00 0.37 H new ATOM 0 HG22 ILE A 88 4.547 -15.847 8.879 1.00 0.37 H new ATOM 0 HG23 ILE A 88 5.974 -14.968 9.478 1.00 0.37 H new ATOM 0 HD11 ILE A 88 6.479 -11.637 5.981 1.00 0.63 H new ATOM 0 HD12 ILE A 88 6.229 -13.202 5.172 1.00 0.63 H new ATOM 0 HD13 ILE A 88 4.870 -12.397 5.992 1.00 0.63 H new ATOM 1151 N GLY A 89 6.120 -17.599 8.410 1.00 0.32 N ATOM 1152 CA GLY A 89 6.550 -18.570 9.457 1.00 0.32 C ATOM 1153 C GLY A 89 7.670 -19.428 8.873 1.00 0.30 C ATOM 1154 O GLY A 89 8.621 -19.783 9.547 1.00 0.32 O ATOM 0 H GLY A 89 5.150 -17.691 8.107 1.00 0.32 H new ATOM 0 HA2 GLY A 89 6.897 -18.043 10.346 1.00 0.32 H new ATOM 0 HA3 GLY A 89 5.712 -19.195 9.764 1.00 0.32 H new ATOM 1158 N ARG A 90 7.569 -19.743 7.608 1.00 0.28 N ATOM 1159 CA ARG A 90 8.630 -20.555 6.952 1.00 0.28 C ATOM 1160 C ARG A 90 9.910 -19.727 6.871 1.00 0.27 C ATOM 1161 O ARG A 90 11.003 -20.238 7.034 1.00 0.30 O ATOM 1162 CB ARG A 90 8.100 -20.851 5.549 1.00 0.30 C ATOM 1163 CG ARG A 90 7.373 -22.196 5.541 1.00 0.33 C ATOM 1164 CD ARG A 90 6.854 -22.476 4.130 1.00 0.40 C ATOM 1165 NE ARG A 90 5.647 -23.328 4.321 1.00 0.46 N ATOM 1166 CZ ARG A 90 4.927 -23.677 3.289 1.00 0.45 C ATOM 1167 NH1 ARG A 90 4.006 -22.872 2.835 1.00 0.58 N ATOM 1168 NH2 ARG A 90 5.131 -24.828 2.711 1.00 0.62 N ATOM 0 H ARG A 90 6.795 -19.471 7.002 1.00 0.28 H new ATOM 0 HA ARG A 90 8.857 -21.472 7.496 1.00 0.28 H new ATOM 0 HB2 ARG A 90 7.421 -20.059 5.232 1.00 0.30 H new ATOM 0 HB3 ARG A 90 8.924 -20.869 4.836 1.00 0.30 H new ATOM 0 HG2 ARG A 90 8.049 -22.991 5.858 1.00 0.33 H new ATOM 0 HG3 ARG A 90 6.545 -22.180 6.250 1.00 0.33 H new ATOM 0 HD2 ARG A 90 6.605 -21.550 3.611 1.00 0.40 H new ATOM 0 HD3 ARG A 90 7.606 -22.987 3.528 1.00 0.40 H new ATOM 0 HE ARG A 90 5.383 -23.638 5.256 1.00 0.46 H new ATOM 0 HH11 ARG A 90 3.849 -21.971 3.286 1.00 0.58 H new ATOM 0 HH12 ARG A 90 3.443 -23.144 2.029 1.00 0.58 H new ATOM 0 HH21 ARG A 90 5.853 -25.456 3.065 1.00 0.62 H new ATOM 0 HH22 ARG A 90 4.569 -25.101 1.905 1.00 0.62 H new ATOM 1182 N MET A 91 9.769 -18.439 6.644 1.00 0.27 N ATOM 1183 CA MET A 91 10.964 -17.549 6.567 1.00 0.28 C ATOM 1184 C MET A 91 11.722 -17.656 7.880 1.00 0.26 C ATOM 1185 O MET A 91 12.937 -17.705 7.911 1.00 0.28 O ATOM 1186 CB MET A 91 10.408 -16.135 6.366 1.00 0.32 C ATOM 1187 CG MET A 91 11.208 -15.419 5.275 1.00 0.54 C ATOM 1188 SD MET A 91 10.538 -13.756 5.028 1.00 0.60 S ATOM 1189 CE MET A 91 9.130 -14.230 3.994 1.00 0.63 C ATOM 0 H MET A 91 8.873 -17.970 6.509 1.00 0.27 H new ATOM 0 HA MET A 91 11.648 -17.812 5.760 1.00 0.28 H new ATOM 0 HB2 MET A 91 9.356 -16.183 6.087 1.00 0.32 H new ATOM 0 HB3 MET A 91 10.465 -15.575 7.299 1.00 0.32 H new ATOM 0 HG2 MET A 91 12.259 -15.361 5.559 1.00 0.54 H new ATOM 0 HG3 MET A 91 11.160 -15.984 4.344 1.00 0.54 H new ATOM 0 HE1 MET A 91 9.236 -13.781 3.007 1.00 0.63 H new ATOM 0 HE2 MET A 91 9.099 -15.315 3.897 1.00 0.63 H new ATOM 0 HE3 MET A 91 8.206 -13.880 4.455 1.00 0.63 H new ATOM 1199 N LEU A 92 10.995 -17.730 8.963 1.00 0.27 N ATOM 1200 CA LEU A 92 11.641 -17.876 10.293 1.00 0.29 C ATOM 1201 C LEU A 92 12.365 -19.206 10.333 1.00 0.30 C ATOM 1202 O LEU A 92 13.493 -19.292 10.782 1.00 0.33 O ATOM 1203 CB LEU A 92 10.500 -17.815 11.288 1.00 0.32 C ATOM 1204 CG LEU A 92 9.903 -16.420 11.202 1.00 0.34 C ATOM 1205 CD1 LEU A 92 8.413 -16.469 11.552 1.00 0.41 C ATOM 1206 CD2 LEU A 92 10.636 -15.490 12.177 1.00 0.40 C ATOM 0 H LEU A 92 9.976 -17.695 8.980 1.00 0.27 H new ATOM 0 HA LEU A 92 12.380 -17.106 10.514 1.00 0.29 H new ATOM 0 HB2 LEU A 92 9.748 -18.570 11.058 1.00 0.32 H new ATOM 0 HB3 LEU A 92 10.858 -18.019 12.297 1.00 0.32 H new ATOM 0 HG LEU A 92 10.016 -16.041 10.186 1.00 0.34 H new ATOM 0 HD11 LEU A 92 7.991 -15.466 11.488 1.00 0.41 H new ATOM 0 HD12 LEU A 92 7.896 -17.125 10.852 1.00 0.41 H new ATOM 0 HD13 LEU A 92 8.290 -16.851 12.565 1.00 0.41 H new ATOM 0 HD21 LEU A 92 10.209 -14.489 12.116 1.00 0.40 H new ATOM 0 HD22 LEU A 92 10.528 -15.870 13.193 1.00 0.40 H new ATOM 0 HD23 LEU A 92 11.693 -15.449 11.916 1.00 0.40 H new ATOM 1218 N ASN A 93 11.743 -20.236 9.812 1.00 0.31 N ATOM 1219 CA ASN A 93 12.420 -21.561 9.758 1.00 0.33 C ATOM 1220 C ASN A 93 13.761 -21.371 9.046 1.00 0.32 C ATOM 1221 O ASN A 93 14.713 -22.093 9.278 1.00 0.38 O ATOM 1222 CB ASN A 93 11.494 -22.464 8.940 1.00 0.35 C ATOM 1223 CG ASN A 93 11.421 -23.847 9.589 1.00 0.57 C ATOM 1224 OD1 ASN A 93 12.326 -24.647 9.450 1.00 0.92 O ATOM 1225 ND2 ASN A 93 10.373 -24.164 10.299 1.00 0.90 N ATOM 0 H ASN A 93 10.800 -20.213 9.424 1.00 0.31 H new ATOM 0 HA ASN A 93 12.607 -21.994 10.741 1.00 0.33 H new ATOM 0 HB2 ASN A 93 10.498 -22.025 8.883 1.00 0.35 H new ATOM 0 HB3 ASN A 93 11.863 -22.550 7.918 1.00 0.35 H new ATOM 0 HD21 ASN A 93 10.313 -25.083 10.737 1.00 0.90 H new ATOM 0 HD22 ASN A 93 9.614 -23.493 10.416 1.00 0.90 H new ATOM 1232 N ILE A 94 13.836 -20.372 8.191 1.00 0.28 N ATOM 1233 CA ILE A 94 15.112 -20.094 7.470 1.00 0.29 C ATOM 1234 C ILE A 94 16.032 -19.225 8.336 1.00 0.27 C ATOM 1235 O ILE A 94 17.233 -19.422 8.344 1.00 0.31 O ATOM 1236 CB ILE A 94 14.753 -19.335 6.182 1.00 0.31 C ATOM 1237 CG1 ILE A 94 13.419 -19.840 5.615 1.00 0.34 C ATOM 1238 CG2 ILE A 94 15.868 -19.554 5.154 1.00 0.36 C ATOM 1239 CD1 ILE A 94 13.293 -19.468 4.133 1.00 0.47 C ATOM 0 H ILE A 94 13.066 -19.742 7.966 1.00 0.28 H new ATOM 0 HA ILE A 94 15.633 -21.025 7.246 1.00 0.29 H new ATOM 0 HB ILE A 94 14.652 -18.273 6.405 1.00 0.31 H new ATOM 0 HG12 ILE A 94 13.353 -20.922 5.732 1.00 0.34 H new ATOM 0 HG13 ILE A 94 12.591 -19.408 6.177 1.00 0.34 H new ATOM 0 HG21 ILE A 94 15.625 -19.020 4.235 1.00 0.36 H new ATOM 0 HG22 ILE A 94 16.810 -19.179 5.554 1.00 0.36 H new ATOM 0 HG23 ILE A 94 15.963 -20.619 4.941 1.00 0.36 H new ATOM 0 HD11 ILE A 94 12.342 -19.833 3.746 1.00 0.47 H new ATOM 0 HD12 ILE A 94 13.337 -18.384 4.025 1.00 0.47 H new ATOM 0 HD13 ILE A 94 14.111 -19.922 3.573 1.00 0.47 H new ATOM 1251 N LEU A 95 15.497 -18.255 9.056 1.00 0.25 N ATOM 1252 CA LEU A 95 16.399 -17.396 9.891 1.00 0.26 C ATOM 1253 C LEU A 95 16.495 -17.922 11.330 1.00 0.27 C ATOM 1254 O LEU A 95 16.975 -17.236 12.212 1.00 0.32 O ATOM 1255 CB LEU A 95 15.809 -15.982 9.853 1.00 0.27 C ATOM 1256 CG LEU A 95 14.377 -15.992 10.374 1.00 0.28 C ATOM 1257 CD1 LEU A 95 14.323 -15.324 11.749 1.00 0.33 C ATOM 1258 CD2 LEU A 95 13.483 -15.221 9.398 1.00 0.32 C ATOM 0 H LEU A 95 14.503 -18.029 9.099 1.00 0.25 H new ATOM 0 HA LEU A 95 17.416 -17.404 9.499 1.00 0.26 H new ATOM 0 HB2 LEU A 95 16.418 -15.310 10.457 1.00 0.27 H new ATOM 0 HB3 LEU A 95 15.829 -15.600 8.833 1.00 0.27 H new ATOM 0 HG LEU A 95 14.028 -17.021 10.461 1.00 0.28 H new ATOM 0 HD11 LEU A 95 13.297 -15.333 12.118 1.00 0.33 H new ATOM 0 HD12 LEU A 95 14.963 -15.868 12.443 1.00 0.33 H new ATOM 0 HD13 LEU A 95 14.670 -14.294 11.667 1.00 0.33 H new ATOM 0 HD21 LEU A 95 12.457 -15.224 9.765 1.00 0.32 H new ATOM 0 HD22 LEU A 95 13.836 -14.193 9.316 1.00 0.32 H new ATOM 0 HD23 LEU A 95 13.520 -15.696 8.418 1.00 0.32 H new ATOM 1270 N ASN A 96 16.066 -19.140 11.568 1.00 0.29 N ATOM 1271 CA ASN A 96 16.161 -19.719 12.946 1.00 0.31 C ATOM 1272 C ASN A 96 17.078 -20.946 12.934 1.00 0.35 C ATOM 1273 O ASN A 96 17.712 -21.268 13.921 1.00 0.41 O ATOM 1274 CB ASN A 96 14.737 -20.121 13.329 1.00 0.35 C ATOM 1275 CG ASN A 96 13.977 -18.888 13.819 1.00 0.39 C ATOM 1276 OD1 ASN A 96 12.751 -18.695 13.424 1.00 0.48 O flip ATOM 1277 ND2 ASN A 96 14.505 -18.093 14.570 1.00 0.43 N flip ATOM 0 H ASN A 96 15.655 -19.757 10.868 1.00 0.29 H new ATOM 0 HA ASN A 96 16.578 -19.007 13.658 1.00 0.31 H new ATOM 0 HB2 ASN A 96 14.227 -20.559 12.471 1.00 0.35 H new ATOM 0 HB3 ASN A 96 14.759 -20.882 14.109 1.00 0.35 H new ATOM 0 HD21 ASN A 96 15.465 -18.244 14.879 1.00 0.43 H new ATOM 0 HD22 ASN A 96 13.988 -17.274 14.891 1.00 0.43 H new ATOM 1738 N PRO B 43 11.864 0.373 12.143 1.00 0.35 N ATOM 1739 CA PRO B 43 11.079 -0.699 11.503 1.00 0.32 C ATOM 1740 C PRO B 43 12.002 -1.800 10.967 1.00 0.28 C ATOM 1741 O PRO B 43 11.779 -2.972 11.197 1.00 0.33 O ATOM 1742 CB PRO B 43 10.376 0.023 10.360 1.00 0.37 C ATOM 1743 CG PRO B 43 11.233 1.215 10.039 1.00 0.40 C ATOM 1744 CD PRO B 43 12.184 1.442 11.192 1.00 0.40 C ATOM 0 HA PRO B 43 10.389 -1.194 12.186 1.00 0.32 H new ATOM 0 HB2 PRO B 43 10.271 -0.628 9.492 1.00 0.37 H new ATOM 0 HB3 PRO B 43 9.372 0.331 10.651 1.00 0.37 H new ATOM 0 HG2 PRO B 43 11.789 1.046 9.117 1.00 0.40 H new ATOM 0 HG3 PRO B 43 10.612 2.097 9.880 1.00 0.40 H new ATOM 0 HD2 PRO B 43 13.223 1.387 10.867 1.00 0.40 H new ATOM 0 HD3 PRO B 43 12.041 2.426 11.638 1.00 0.40 H new ATOM 1752 N LEU B 44 13.028 -1.423 10.243 1.00 0.26 N ATOM 1753 CA LEU B 44 13.976 -2.427 9.665 1.00 0.26 C ATOM 1754 C LEU B 44 13.229 -3.446 8.797 1.00 0.25 C ATOM 1755 O LEU B 44 13.755 -4.494 8.471 1.00 0.34 O ATOM 1756 CB LEU B 44 14.634 -3.121 10.861 1.00 0.32 C ATOM 1757 CG LEU B 44 15.800 -3.986 10.362 1.00 0.43 C ATOM 1758 CD1 LEU B 44 17.100 -3.544 11.039 1.00 0.74 C ATOM 1759 CD2 LEU B 44 15.528 -5.459 10.690 1.00 0.72 C ATOM 0 H LEU B 44 13.251 -0.452 10.026 1.00 0.26 H new ATOM 0 HA LEU B 44 14.715 -1.949 9.022 1.00 0.26 H new ATOM 0 HB2 LEU B 44 14.994 -2.380 11.574 1.00 0.32 H new ATOM 0 HB3 LEU B 44 13.905 -3.739 11.385 1.00 0.32 H new ATOM 0 HG LEU B 44 15.896 -3.867 9.283 1.00 0.43 H new ATOM 0 HD11 LEU B 44 17.924 -4.161 10.682 1.00 0.74 H new ATOM 0 HD12 LEU B 44 17.298 -2.499 10.799 1.00 0.74 H new ATOM 0 HD13 LEU B 44 17.004 -3.657 12.119 1.00 0.74 H new ATOM 0 HD21 LEU B 44 16.358 -6.070 10.334 1.00 0.72 H new ATOM 0 HD22 LEU B 44 15.425 -5.579 11.769 1.00 0.72 H new ATOM 0 HD23 LEU B 44 14.607 -5.777 10.200 1.00 0.72 H new ATOM 1771 N LYS B 45 12.016 -3.142 8.407 1.00 0.24 N ATOM 1772 CA LYS B 45 11.248 -4.088 7.545 1.00 0.27 C ATOM 1773 C LYS B 45 11.627 -3.854 6.082 1.00 0.26 C ATOM 1774 O LYS B 45 11.572 -4.751 5.273 1.00 0.30 O ATOM 1775 CB LYS B 45 9.772 -3.762 7.793 1.00 0.32 C ATOM 1776 CG LYS B 45 9.464 -2.337 7.327 1.00 0.35 C ATOM 1777 CD LYS B 45 7.963 -2.069 7.449 1.00 0.45 C ATOM 1778 CE LYS B 45 7.537 -2.179 8.916 1.00 0.36 C ATOM 1779 NZ LYS B 45 6.350 -1.288 9.038 1.00 0.31 N ATOM 0 H LYS B 45 11.526 -2.281 8.649 1.00 0.24 H new ATOM 0 HA LYS B 45 11.458 -5.133 7.772 1.00 0.27 H new ATOM 0 HB2 LYS B 45 9.140 -4.472 7.260 1.00 0.32 H new ATOM 0 HB3 LYS B 45 9.542 -3.864 8.854 1.00 0.32 H new ATOM 0 HG2 LYS B 45 10.022 -1.619 7.928 1.00 0.35 H new ATOM 0 HG3 LYS B 45 9.784 -2.205 6.294 1.00 0.35 H new ATOM 0 HD2 LYS B 45 7.729 -1.076 7.066 1.00 0.45 H new ATOM 0 HD3 LYS B 45 7.406 -2.784 6.844 1.00 0.45 H new ATOM 0 HE2 LYS B 45 7.288 -3.207 9.179 1.00 0.36 H new ATOM 0 HE3 LYS B 45 8.338 -1.864 9.585 1.00 0.36 H new ATOM 0 HZ1 LYS B 45 5.999 -1.309 10.017 1.00 0.31 H new ATOM 0 HZ2 LYS B 45 6.619 -0.315 8.788 1.00 0.31 H new ATOM 0 HZ3 LYS B 45 5.602 -1.617 8.395 1.00 0.31 H new ATOM 1793 N LEU B 46 12.016 -2.644 5.757 1.00 0.26 N ATOM 1794 CA LEU B 46 12.425 -2.295 4.355 1.00 0.28 C ATOM 1795 C LEU B 46 13.151 -3.467 3.671 1.00 0.28 C ATOM 1796 O LEU B 46 12.903 -3.777 2.518 1.00 0.30 O ATOM 1797 CB LEU B 46 13.390 -1.111 4.529 1.00 0.30 C ATOM 1798 CG LEU B 46 12.948 0.074 3.662 1.00 0.37 C ATOM 1799 CD1 LEU B 46 12.887 -0.345 2.189 1.00 0.48 C ATOM 1800 CD2 LEU B 46 11.569 0.555 4.121 1.00 0.46 C ATOM 0 H LEU B 46 12.069 -1.867 6.416 1.00 0.26 H new ATOM 0 HA LEU B 46 11.564 -2.062 3.728 1.00 0.28 H new ATOM 0 HB2 LEU B 46 13.422 -0.811 5.576 1.00 0.30 H new ATOM 0 HB3 LEU B 46 14.400 -1.414 4.253 1.00 0.30 H new ATOM 0 HG LEU B 46 13.670 0.884 3.768 1.00 0.37 H new ATOM 0 HD11 LEU B 46 12.572 0.504 1.582 1.00 0.48 H new ATOM 0 HD12 LEU B 46 13.873 -0.677 1.864 1.00 0.48 H new ATOM 0 HD13 LEU B 46 12.173 -1.160 2.072 1.00 0.48 H new ATOM 0 HD21 LEU B 46 11.254 1.397 3.505 1.00 0.46 H new ATOM 0 HD22 LEU B 46 10.849 -0.257 4.021 1.00 0.46 H new ATOM 0 HD23 LEU B 46 11.621 0.867 5.164 1.00 0.46 H new ATOM 1812 N PHE B 47 14.034 -4.127 4.383 1.00 0.28 N ATOM 1813 CA PHE B 47 14.777 -5.278 3.791 1.00 0.30 C ATOM 1814 C PHE B 47 13.878 -6.511 3.787 1.00 0.28 C ATOM 1815 O PHE B 47 13.768 -7.213 2.800 1.00 0.31 O ATOM 1816 CB PHE B 47 15.991 -5.474 4.711 1.00 0.35 C ATOM 1817 CG PHE B 47 16.538 -6.877 4.569 1.00 0.30 C ATOM 1818 CD1 PHE B 47 16.797 -7.404 3.298 1.00 0.32 C ATOM 1819 CD2 PHE B 47 16.787 -7.651 5.711 1.00 0.37 C ATOM 1820 CE1 PHE B 47 17.301 -8.702 3.169 1.00 0.37 C ATOM 1821 CE2 PHE B 47 17.291 -8.950 5.580 1.00 0.39 C ATOM 1822 CZ PHE B 47 17.549 -9.475 4.310 1.00 0.37 C ATOM 0 H PHE B 47 14.271 -3.915 5.352 1.00 0.28 H new ATOM 0 HA PHE B 47 15.085 -5.107 2.759 1.00 0.30 H new ATOM 0 HB2 PHE B 47 16.765 -4.748 4.462 1.00 0.35 H new ATOM 0 HB3 PHE B 47 15.704 -5.292 5.747 1.00 0.35 H new ATOM 0 HD1 PHE B 47 16.608 -6.808 2.417 1.00 0.32 H new ATOM 0 HD2 PHE B 47 16.590 -7.245 6.692 1.00 0.37 H new ATOM 0 HE1 PHE B 47 17.499 -9.109 2.188 1.00 0.37 H new ATOM 0 HE2 PHE B 47 17.481 -9.547 6.460 1.00 0.39 H new ATOM 0 HZ PHE B 47 17.940 -10.477 4.209 1.00 0.37 H new ATOM 1832 N MET B 48 13.233 -6.767 4.890 1.00 0.30 N ATOM 1833 CA MET B 48 12.325 -7.943 4.980 1.00 0.32 C ATOM 1834 C MET B 48 11.221 -7.832 3.928 1.00 0.29 C ATOM 1835 O MET B 48 11.018 -8.728 3.136 1.00 0.34 O ATOM 1836 CB MET B 48 11.735 -7.874 6.389 1.00 0.40 C ATOM 1837 CG MET B 48 11.783 -9.260 7.025 1.00 0.49 C ATOM 1838 SD MET B 48 13.090 -9.321 8.276 1.00 0.45 S ATOM 1839 CE MET B 48 14.466 -8.896 7.182 1.00 0.46 C ATOM 0 H MET B 48 13.297 -6.207 5.740 1.00 0.30 H new ATOM 0 HA MET B 48 12.842 -8.886 4.800 1.00 0.32 H new ATOM 0 HB2 MET B 48 12.296 -7.163 6.996 1.00 0.40 H new ATOM 0 HB3 MET B 48 10.706 -7.516 6.348 1.00 0.40 H new ATOM 0 HG2 MET B 48 10.821 -9.494 7.481 1.00 0.49 H new ATOM 0 HG3 MET B 48 11.965 -10.014 6.260 1.00 0.49 H new ATOM 0 HE1 MET B 48 15.407 -9.180 7.653 1.00 0.46 H new ATOM 0 HE2 MET B 48 14.358 -9.429 6.237 1.00 0.46 H new ATOM 0 HE3 MET B 48 14.464 -7.822 6.995 1.00 0.46 H new ATOM 1849 N ALA B 49 10.513 -6.734 3.919 1.00 0.29 N ATOM 1850 CA ALA B 49 9.417 -6.539 2.925 1.00 0.30 C ATOM 1851 C ALA B 49 9.955 -6.679 1.498 1.00 0.29 C ATOM 1852 O ALA B 49 9.354 -7.334 0.668 1.00 0.34 O ATOM 1853 CB ALA B 49 8.909 -5.116 3.168 1.00 0.34 C ATOM 0 H ALA B 49 10.649 -5.956 4.565 1.00 0.29 H new ATOM 0 HA ALA B 49 8.627 -7.281 3.037 1.00 0.30 H new ATOM 0 HB1 ALA B 49 8.099 -4.895 2.473 1.00 0.34 H new ATOM 0 HB2 ALA B 49 8.543 -5.030 4.191 1.00 0.34 H new ATOM 0 HB3 ALA B 49 9.723 -4.408 3.013 1.00 0.34 H new ATOM 1859 N LEU B 50 11.075 -6.065 1.202 1.00 0.28 N ATOM 1860 CA LEU B 50 11.634 -6.166 -0.180 1.00 0.30 C ATOM 1861 C LEU B 50 11.980 -7.619 -0.525 1.00 0.29 C ATOM 1862 O LEU B 50 11.448 -8.181 -1.467 1.00 0.34 O ATOM 1863 CB LEU B 50 12.895 -5.302 -0.172 1.00 0.34 C ATOM 1864 CG LEU B 50 13.360 -5.067 -1.610 1.00 0.44 C ATOM 1865 CD1 LEU B 50 12.269 -4.328 -2.390 1.00 0.69 C ATOM 1866 CD2 LEU B 50 14.638 -4.226 -1.599 1.00 0.58 C ATOM 0 H LEU B 50 11.622 -5.502 1.853 1.00 0.28 H new ATOM 0 HA LEU B 50 10.916 -5.832 -0.929 1.00 0.30 H new ATOM 0 HB2 LEU B 50 12.693 -4.349 0.317 1.00 0.34 H new ATOM 0 HB3 LEU B 50 13.682 -5.793 0.400 1.00 0.34 H new ATOM 0 HG LEU B 50 13.558 -6.026 -2.088 1.00 0.44 H new ATOM 0 HD11 LEU B 50 12.603 -4.162 -3.414 1.00 0.69 H new ATOM 0 HD12 LEU B 50 11.358 -4.927 -2.398 1.00 0.69 H new ATOM 0 HD13 LEU B 50 12.068 -3.368 -1.914 1.00 0.69 H new ATOM 0 HD21 LEU B 50 14.971 -4.057 -2.623 1.00 0.58 H new ATOM 0 HD22 LEU B 50 14.439 -3.268 -1.120 1.00 0.58 H new ATOM 0 HD23 LEU B 50 15.416 -4.753 -1.047 1.00 0.58 H new ATOM 1878 N VAL B 51 12.867 -8.232 0.222 1.00 0.28 N ATOM 1879 CA VAL B 51 13.245 -9.643 -0.076 1.00 0.30 C ATOM 1880 C VAL B 51 12.015 -10.554 0.039 1.00 0.28 C ATOM 1881 O VAL B 51 11.862 -11.483 -0.725 1.00 0.31 O ATOM 1882 CB VAL B 51 14.328 -9.996 0.956 1.00 0.33 C ATOM 1883 CG1 VAL B 51 14.418 -11.511 1.132 1.00 0.44 C ATOM 1884 CG2 VAL B 51 15.676 -9.463 0.464 1.00 0.44 C ATOM 0 H VAL B 51 13.342 -7.815 1.022 1.00 0.28 H new ATOM 0 HA VAL B 51 13.621 -9.775 -1.091 1.00 0.30 H new ATOM 0 HB VAL B 51 14.072 -9.544 1.914 1.00 0.33 H new ATOM 0 HG11 VAL B 51 15.189 -11.747 1.866 1.00 0.44 H new ATOM 0 HG12 VAL B 51 13.458 -11.895 1.478 1.00 0.44 H new ATOM 0 HG13 VAL B 51 14.671 -11.974 0.178 1.00 0.44 H new ATOM 0 HG21 VAL B 51 16.451 -9.709 1.190 1.00 0.44 H new ATOM 0 HG22 VAL B 51 15.919 -9.919 -0.495 1.00 0.44 H new ATOM 0 HG23 VAL B 51 15.619 -8.381 0.347 1.00 0.44 H new ATOM 1894 N ALA B 52 11.134 -10.288 0.974 1.00 0.28 N ATOM 1895 CA ALA B 52 9.910 -11.141 1.115 1.00 0.30 C ATOM 1896 C ALA B 52 9.076 -11.051 -0.164 1.00 0.28 C ATOM 1897 O ALA B 52 8.699 -12.056 -0.742 1.00 0.32 O ATOM 1898 CB ALA B 52 9.139 -10.558 2.300 1.00 0.33 C ATOM 0 H ALA B 52 11.208 -9.521 1.643 1.00 0.28 H new ATOM 0 HA ALA B 52 10.152 -12.191 1.277 1.00 0.30 H new ATOM 0 HB1 ALA B 52 8.228 -11.135 2.461 1.00 0.33 H new ATOM 0 HB2 ALA B 52 9.760 -10.602 3.195 1.00 0.33 H new ATOM 0 HB3 ALA B 52 8.879 -9.521 2.090 1.00 0.33 H new ATOM 1904 N PHE B 53 8.805 -9.848 -0.616 1.00 0.27 N ATOM 1905 CA PHE B 53 8.016 -9.664 -1.874 1.00 0.29 C ATOM 1906 C PHE B 53 8.621 -10.539 -2.975 1.00 0.29 C ATOM 1907 O PHE B 53 7.971 -11.414 -3.529 1.00 0.33 O ATOM 1908 CB PHE B 53 8.169 -8.176 -2.208 1.00 0.33 C ATOM 1909 CG PHE B 53 7.509 -7.869 -3.531 1.00 0.36 C ATOM 1910 CD1 PHE B 53 6.181 -8.245 -3.757 1.00 0.40 C ATOM 1911 CD2 PHE B 53 8.230 -7.206 -4.531 1.00 0.57 C ATOM 1912 CE1 PHE B 53 5.572 -7.958 -4.985 1.00 0.46 C ATOM 1913 CE2 PHE B 53 7.622 -6.918 -5.758 1.00 0.63 C ATOM 1914 CZ PHE B 53 6.294 -7.294 -5.985 1.00 0.51 C ATOM 0 H PHE B 53 9.099 -8.982 -0.164 1.00 0.27 H new ATOM 0 HA PHE B 53 6.968 -9.947 -1.775 1.00 0.29 H new ATOM 0 HB2 PHE B 53 7.720 -7.571 -1.420 1.00 0.33 H new ATOM 0 HB3 PHE B 53 9.226 -7.912 -2.250 1.00 0.33 H new ATOM 0 HD1 PHE B 53 5.625 -8.756 -2.985 1.00 0.40 H new ATOM 0 HD2 PHE B 53 9.256 -6.917 -4.356 1.00 0.57 H new ATOM 0 HE1 PHE B 53 4.547 -8.248 -5.161 1.00 0.46 H new ATOM 0 HE2 PHE B 53 8.178 -6.406 -6.529 1.00 0.63 H new ATOM 0 HZ PHE B 53 5.825 -7.072 -6.932 1.00 0.51 H new ATOM 1924 N LEU B 54 9.879 -10.332 -3.265 1.00 0.30 N ATOM 1925 CA LEU B 54 10.552 -11.166 -4.297 1.00 0.33 C ATOM 1926 C LEU B 54 10.480 -12.636 -3.872 1.00 0.32 C ATOM 1927 O LEU B 54 10.302 -13.517 -4.687 1.00 0.38 O ATOM 1928 CB LEU B 54 12.003 -10.674 -4.327 1.00 0.36 C ATOM 1929 CG LEU B 54 12.139 -9.495 -5.299 1.00 0.40 C ATOM 1930 CD1 LEU B 54 11.768 -9.944 -6.716 1.00 0.50 C ATOM 1931 CD2 LEU B 54 11.208 -8.359 -4.866 1.00 0.48 C ATOM 0 H LEU B 54 10.467 -9.621 -2.830 1.00 0.30 H new ATOM 0 HA LEU B 54 10.089 -11.085 -5.281 1.00 0.33 H new ATOM 0 HB2 LEU B 54 12.313 -10.369 -3.327 1.00 0.36 H new ATOM 0 HB3 LEU B 54 12.664 -11.485 -4.632 1.00 0.36 H new ATOM 0 HG LEU B 54 13.171 -9.144 -5.290 1.00 0.40 H new ATOM 0 HD11 LEU B 54 11.866 -9.103 -7.402 1.00 0.50 H new ATOM 0 HD12 LEU B 54 12.435 -10.747 -7.029 1.00 0.50 H new ATOM 0 HD13 LEU B 54 10.739 -10.302 -6.726 1.00 0.50 H new ATOM 0 HD21 LEU B 54 11.307 -7.523 -5.559 1.00 0.48 H new ATOM 0 HD22 LEU B 54 10.177 -8.712 -4.869 1.00 0.48 H new ATOM 0 HD23 LEU B 54 11.476 -8.032 -3.862 1.00 0.48 H new ATOM 1943 N ARG B 55 10.593 -12.895 -2.589 1.00 0.31 N ATOM 1944 CA ARG B 55 10.516 -14.301 -2.085 1.00 0.34 C ATOM 1945 C ARG B 55 9.083 -14.833 -2.192 1.00 0.33 C ATOM 1946 O ARG B 55 8.829 -15.998 -1.946 1.00 0.43 O ATOM 1947 CB ARG B 55 10.954 -14.235 -0.620 1.00 0.35 C ATOM 1948 CG ARG B 55 11.143 -15.655 -0.079 1.00 0.47 C ATOM 1949 CD ARG B 55 9.974 -16.018 0.840 1.00 0.62 C ATOM 1950 NE ARG B 55 10.047 -17.498 0.983 1.00 0.59 N ATOM 1951 CZ ARG B 55 8.960 -18.216 0.909 1.00 0.58 C ATOM 1952 NH1 ARG B 55 8.542 -18.650 -0.249 1.00 0.51 N ATOM 1953 NH2 ARG B 55 8.291 -18.501 1.992 1.00 0.84 N ATOM 0 H ARG B 55 10.736 -12.188 -1.868 1.00 0.31 H new ATOM 0 HA ARG B 55 11.147 -14.973 -2.666 1.00 0.34 H new ATOM 0 HB2 ARG B 55 11.885 -13.674 -0.533 1.00 0.35 H new ATOM 0 HB3 ARG B 55 10.206 -13.706 -0.029 1.00 0.35 H new ATOM 0 HG2 ARG B 55 11.202 -16.364 -0.905 1.00 0.47 H new ATOM 0 HG3 ARG B 55 12.083 -15.724 0.468 1.00 0.47 H new ATOM 0 HD2 ARG B 55 10.062 -15.522 1.807 1.00 0.62 H new ATOM 0 HD3 ARG B 55 9.022 -15.709 0.409 1.00 0.62 H new ATOM 0 HE ARG B 55 10.947 -17.951 1.139 1.00 0.59 H new ATOM 0 HH11 ARG B 55 9.065 -18.428 -1.096 1.00 0.51 H new ATOM 0 HH12 ARG B 55 7.692 -19.211 -0.307 1.00 0.51 H new ATOM 0 HH21 ARG B 55 8.618 -18.163 2.897 1.00 0.84 H new ATOM 0 HH22 ARG B 55 7.441 -19.062 1.934 1.00 0.84 H new ATOM 1967 N PHE B 56 8.146 -13.996 -2.556 1.00 0.32 N ATOM 1968 CA PHE B 56 6.738 -14.468 -2.685 1.00 0.32 C ATOM 1969 C PHE B 56 6.369 -14.642 -4.162 1.00 0.34 C ATOM 1970 O PHE B 56 5.419 -15.329 -4.487 1.00 0.37 O ATOM 1971 CB PHE B 56 5.883 -13.371 -2.046 1.00 0.33 C ATOM 1972 CG PHE B 56 5.417 -13.825 -0.682 1.00 0.36 C ATOM 1973 CD1 PHE B 56 6.332 -13.940 0.375 1.00 0.44 C ATOM 1974 CD2 PHE B 56 4.067 -14.131 -0.474 1.00 0.65 C ATOM 1975 CE1 PHE B 56 5.894 -14.360 1.636 1.00 0.49 C ATOM 1976 CE2 PHE B 56 3.631 -14.552 0.788 1.00 0.73 C ATOM 1977 CZ PHE B 56 4.544 -14.666 1.842 1.00 0.54 C ATOM 0 H PHE B 56 8.296 -13.010 -2.769 1.00 0.32 H new ATOM 0 HA PHE B 56 6.586 -15.433 -2.202 1.00 0.32 H new ATOM 0 HB2 PHE B 56 6.460 -12.451 -1.957 1.00 0.33 H new ATOM 0 HB3 PHE B 56 5.025 -13.149 -2.680 1.00 0.33 H new ATOM 0 HD1 PHE B 56 7.374 -13.705 0.216 1.00 0.44 H new ATOM 0 HD2 PHE B 56 3.362 -14.042 -1.287 1.00 0.65 H new ATOM 0 HE1 PHE B 56 6.598 -14.448 2.450 1.00 0.49 H new ATOM 0 HE2 PHE B 56 2.590 -14.789 0.948 1.00 0.73 H new ATOM 0 HZ PHE B 56 4.207 -14.990 2.815 1.00 0.54 H new ATOM 1987 N LEU B 57 7.094 -14.012 -5.060 1.00 0.35 N ATOM 1988 CA LEU B 57 6.748 -14.137 -6.515 1.00 0.39 C ATOM 1989 C LEU B 57 7.754 -15.011 -7.286 1.00 0.47 C ATOM 1990 O LEU B 57 7.364 -15.818 -8.109 1.00 0.56 O ATOM 1991 CB LEU B 57 6.770 -12.705 -7.057 1.00 0.45 C ATOM 1992 CG LEU B 57 6.007 -11.771 -6.108 1.00 0.43 C ATOM 1993 CD1 LEU B 57 5.952 -10.363 -6.708 1.00 0.59 C ATOM 1994 CD2 LEU B 57 4.579 -12.293 -5.896 1.00 0.47 C ATOM 0 H LEU B 57 7.901 -13.424 -4.852 1.00 0.35 H new ATOM 0 HA LEU B 57 5.780 -14.623 -6.639 1.00 0.39 H new ATOM 0 HB2 LEU B 57 7.800 -12.364 -7.165 1.00 0.45 H new ATOM 0 HB3 LEU B 57 6.319 -12.676 -8.049 1.00 0.45 H new ATOM 0 HG LEU B 57 6.523 -11.739 -5.148 1.00 0.43 H new ATOM 0 HD11 LEU B 57 5.410 -9.701 -6.033 1.00 0.59 H new ATOM 0 HD12 LEU B 57 6.966 -9.987 -6.848 1.00 0.59 H new ATOM 0 HD13 LEU B 57 5.441 -10.397 -7.670 1.00 0.59 H new ATOM 0 HD21 LEU B 57 4.044 -11.625 -5.221 1.00 0.47 H new ATOM 0 HD22 LEU B 57 4.060 -12.333 -6.854 1.00 0.47 H new ATOM 0 HD23 LEU B 57 4.618 -13.292 -5.462 1.00 0.47 H new ATOM 2006 N THR B 58 9.035 -14.845 -7.056 1.00 0.49 N ATOM 2007 CA THR B 58 10.044 -15.657 -7.813 1.00 0.59 C ATOM 2008 C THR B 58 11.150 -16.186 -6.889 1.00 0.54 C ATOM 2009 O THR B 58 11.906 -17.064 -7.259 1.00 0.60 O ATOM 2010 CB THR B 58 10.627 -14.681 -8.837 1.00 0.66 C ATOM 2011 OG1 THR B 58 9.584 -14.192 -9.670 1.00 1.08 O ATOM 2012 CG2 THR B 58 11.673 -15.393 -9.692 1.00 0.99 C ATOM 0 H THR B 58 9.425 -14.187 -6.381 1.00 0.49 H new ATOM 0 HA THR B 58 9.592 -16.536 -8.273 1.00 0.59 H new ATOM 0 HB THR B 58 11.098 -13.848 -8.315 1.00 0.66 H new ATOM 0 HG1 THR B 58 9.955 -13.565 -10.326 1.00 1.08 H new ATOM 0 HG21 THR B 58 12.085 -14.694 -10.420 1.00 0.99 H new ATOM 0 HG22 THR B 58 12.473 -15.765 -9.053 1.00 0.99 H new ATOM 0 HG23 THR B 58 11.208 -16.229 -10.215 1.00 0.99 H new ATOM 2020 N ILE B 59 11.246 -15.656 -5.699 1.00 0.48 N ATOM 2021 CA ILE B 59 12.291 -16.107 -4.731 1.00 0.45 C ATOM 2022 C ILE B 59 13.701 -16.045 -5.342 1.00 0.47 C ATOM 2023 O ILE B 59 14.376 -17.053 -5.448 1.00 0.53 O ATOM 2024 CB ILE B 59 11.913 -17.544 -4.375 1.00 0.51 C ATOM 2025 CG1 ILE B 59 10.495 -17.568 -3.803 1.00 0.51 C ATOM 2026 CG2 ILE B 59 12.894 -18.086 -3.328 1.00 0.54 C ATOM 2027 CD1 ILE B 59 9.497 -17.913 -4.911 1.00 0.51 C ATOM 0 H ILE B 59 10.635 -14.918 -5.350 1.00 0.48 H new ATOM 0 HA ILE B 59 12.323 -15.461 -3.854 1.00 0.45 H new ATOM 0 HB ILE B 59 11.957 -18.165 -5.270 1.00 0.51 H new ATOM 0 HG12 ILE B 59 10.429 -18.302 -3.000 1.00 0.51 H new ATOM 0 HG13 ILE B 59 10.251 -16.598 -3.370 1.00 0.51 H new ATOM 0 HG21 ILE B 59 12.625 -19.111 -3.074 1.00 0.54 H new ATOM 0 HG22 ILE B 59 13.906 -18.066 -3.733 1.00 0.54 H new ATOM 0 HG23 ILE B 59 12.849 -17.466 -2.432 1.00 0.54 H new ATOM 0 HD11 ILE B 59 8.488 -17.929 -4.500 1.00 0.51 H new ATOM 0 HD12 ILE B 59 9.555 -17.163 -5.700 1.00 0.51 H new ATOM 0 HD13 ILE B 59 9.736 -18.893 -5.324 1.00 0.51 H new ATOM 2039 N PRO B 60 14.111 -14.855 -5.705 1.00 0.46 N ATOM 2040 CA PRO B 60 15.452 -14.621 -6.265 1.00 0.49 C ATOM 2041 C PRO B 60 16.358 -13.941 -5.211 1.00 0.42 C ATOM 2042 O PRO B 60 16.798 -12.824 -5.420 1.00 0.47 O ATOM 2043 CB PRO B 60 15.133 -13.634 -7.388 1.00 0.56 C ATOM 2044 CG PRO B 60 13.860 -12.937 -6.955 1.00 0.54 C ATOM 2045 CD PRO B 60 13.379 -13.603 -5.683 1.00 0.47 C ATOM 0 HA PRO B 60 15.973 -15.524 -6.584 1.00 0.49 H new ATOM 0 HB2 PRO B 60 15.945 -12.920 -7.527 1.00 0.56 H new ATOM 0 HB3 PRO B 60 14.996 -14.150 -8.338 1.00 0.56 H new ATOM 0 HG2 PRO B 60 14.044 -11.876 -6.785 1.00 0.54 H new ATOM 0 HG3 PRO B 60 13.101 -13.008 -7.734 1.00 0.54 H new ATOM 0 HD2 PRO B 60 13.611 -13.010 -4.799 1.00 0.47 H new ATOM 0 HD3 PRO B 60 12.300 -13.760 -5.687 1.00 0.47 H new ATOM 2053 N PRO B 61 16.608 -14.608 -4.101 1.00 0.38 N ATOM 2054 CA PRO B 61 17.454 -13.998 -3.049 1.00 0.35 C ATOM 2055 C PRO B 61 18.908 -13.928 -3.517 1.00 0.34 C ATOM 2056 O PRO B 61 19.591 -14.932 -3.603 1.00 0.38 O ATOM 2057 CB PRO B 61 17.301 -14.937 -1.859 1.00 0.38 C ATOM 2058 CG PRO B 61 16.925 -16.249 -2.455 1.00 0.42 C ATOM 2059 CD PRO B 61 16.157 -15.952 -3.720 1.00 0.44 C ATOM 0 HA PRO B 61 17.163 -12.976 -2.804 1.00 0.35 H new ATOM 0 HB2 PRO B 61 18.229 -15.012 -1.292 1.00 0.38 H new ATOM 0 HB3 PRO B 61 16.535 -14.581 -1.170 1.00 0.38 H new ATOM 0 HG2 PRO B 61 17.813 -16.843 -2.673 1.00 0.42 H new ATOM 0 HG3 PRO B 61 16.316 -16.828 -1.761 1.00 0.42 H new ATOM 0 HD2 PRO B 61 16.374 -16.682 -4.500 1.00 0.44 H new ATOM 0 HD3 PRO B 61 15.081 -15.979 -3.549 1.00 0.44 H new ATOM 2067 N THR B 62 19.377 -12.748 -3.830 1.00 0.33 N ATOM 2068 CA THR B 62 20.783 -12.592 -4.306 1.00 0.33 C ATOM 2069 C THR B 62 21.761 -13.152 -3.260 1.00 0.32 C ATOM 2070 O THR B 62 21.373 -13.490 -2.159 1.00 0.33 O ATOM 2071 CB THR B 62 20.948 -11.076 -4.532 1.00 0.37 C ATOM 2072 OG1 THR B 62 21.725 -10.861 -5.698 1.00 0.43 O ATOM 2073 CG2 THR B 62 21.629 -10.396 -3.339 1.00 0.39 C ATOM 0 H THR B 62 18.843 -11.881 -3.776 1.00 0.33 H new ATOM 0 HA THR B 62 20.996 -13.144 -5.221 1.00 0.33 H new ATOM 0 HB THR B 62 19.955 -10.641 -4.647 1.00 0.37 H new ATOM 0 HG1 THR B 62 21.831 -9.898 -5.847 1.00 0.43 H new ATOM 0 HG21 THR B 62 21.727 -9.329 -3.536 1.00 0.39 H new ATOM 0 HG22 THR B 62 21.027 -10.546 -2.443 1.00 0.39 H new ATOM 0 HG23 THR B 62 22.618 -10.830 -3.189 1.00 0.39 H new ATOM 2081 N ALA B 63 23.018 -13.267 -3.610 1.00 0.36 N ATOM 2082 CA ALA B 63 24.031 -13.826 -2.656 1.00 0.39 C ATOM 2083 C ALA B 63 24.008 -13.090 -1.311 1.00 0.38 C ATOM 2084 O ALA B 63 24.234 -13.680 -0.271 1.00 0.42 O ATOM 2085 CB ALA B 63 25.376 -13.616 -3.350 1.00 0.46 C ATOM 0 H ALA B 63 23.390 -12.997 -4.520 1.00 0.36 H new ATOM 0 HA ALA B 63 23.830 -14.873 -2.430 1.00 0.39 H new ATOM 0 HB1 ALA B 63 26.176 -13.999 -2.717 1.00 0.46 H new ATOM 0 HB2 ALA B 63 25.381 -14.147 -4.302 1.00 0.46 H new ATOM 0 HB3 ALA B 63 25.532 -12.552 -3.527 1.00 0.46 H new ATOM 2091 N GLY B 64 23.754 -11.809 -1.325 1.00 0.37 N ATOM 2092 CA GLY B 64 23.737 -11.029 -0.052 1.00 0.39 C ATOM 2093 C GLY B 64 22.609 -11.508 0.863 1.00 0.35 C ATOM 2094 O GLY B 64 22.816 -11.721 2.037 1.00 0.39 O ATOM 0 H GLY B 64 23.557 -11.267 -2.166 1.00 0.37 H new ATOM 0 HA2 GLY B 64 24.695 -11.135 0.458 1.00 0.39 H new ATOM 0 HA3 GLY B 64 23.608 -9.969 -0.271 1.00 0.39 H new ATOM 2098 N ILE B 65 21.420 -11.661 0.340 1.00 0.34 N ATOM 2099 CA ILE B 65 20.264 -12.112 1.182 1.00 0.34 C ATOM 2100 C ILE B 65 20.648 -13.338 2.016 1.00 0.34 C ATOM 2101 O ILE B 65 20.229 -13.479 3.149 1.00 0.37 O ATOM 2102 CB ILE B 65 19.146 -12.469 0.188 1.00 0.34 C ATOM 2103 CG1 ILE B 65 18.872 -11.290 -0.761 1.00 0.42 C ATOM 2104 CG2 ILE B 65 17.864 -12.799 0.958 1.00 0.38 C ATOM 2105 CD1 ILE B 65 18.852 -9.977 0.025 1.00 0.45 C ATOM 0 H ILE B 65 21.196 -11.492 -0.641 1.00 0.34 H new ATOM 0 HA ILE B 65 19.952 -11.338 1.883 1.00 0.34 H new ATOM 0 HB ILE B 65 19.464 -13.331 -0.398 1.00 0.34 H new ATOM 0 HG12 ILE B 65 19.640 -11.249 -1.534 1.00 0.42 H new ATOM 0 HG13 ILE B 65 17.918 -11.435 -1.267 1.00 0.42 H new ATOM 0 HG21 ILE B 65 17.071 -13.052 0.254 1.00 0.38 H new ATOM 0 HG22 ILE B 65 18.045 -13.646 1.620 1.00 0.38 H new ATOM 0 HG23 ILE B 65 17.562 -11.934 1.549 1.00 0.38 H new ATOM 0 HD11 ILE B 65 18.657 -9.148 -0.656 1.00 0.45 H new ATOM 0 HD12 ILE B 65 18.068 -10.017 0.781 1.00 0.45 H new ATOM 0 HD13 ILE B 65 19.817 -9.829 0.510 1.00 0.45 H new ATOM 2117 N LEU B 66 21.444 -14.219 1.466 1.00 0.34 N ATOM 2118 CA LEU B 66 21.854 -15.436 2.228 1.00 0.35 C ATOM 2119 C LEU B 66 23.035 -15.110 3.145 1.00 0.33 C ATOM 2120 O LEU B 66 22.994 -15.364 4.334 1.00 0.37 O ATOM 2121 CB LEU B 66 22.270 -16.468 1.170 1.00 0.41 C ATOM 2122 CG LEU B 66 21.038 -17.043 0.455 1.00 0.46 C ATOM 2123 CD1 LEU B 66 20.078 -17.677 1.470 1.00 0.68 C ATOM 2124 CD2 LEU B 66 20.319 -15.926 -0.305 1.00 0.46 C ATOM 0 H LEU B 66 21.827 -14.148 0.523 1.00 0.34 H new ATOM 0 HA LEU B 66 21.047 -15.810 2.858 1.00 0.35 H new ATOM 0 HB2 LEU B 66 22.934 -16.002 0.442 1.00 0.41 H new ATOM 0 HB3 LEU B 66 22.831 -17.274 1.643 1.00 0.41 H new ATOM 0 HG LEU B 66 21.364 -17.811 -0.246 1.00 0.46 H new ATOM 0 HD11 LEU B 66 19.210 -18.080 0.948 1.00 0.68 H new ATOM 0 HD12 LEU B 66 20.588 -18.481 2.000 1.00 0.68 H new ATOM 0 HD13 LEU B 66 19.753 -16.921 2.185 1.00 0.68 H new ATOM 0 HD21 LEU B 66 19.445 -16.335 -0.812 1.00 0.46 H new ATOM 0 HD22 LEU B 66 20.003 -15.154 0.396 1.00 0.46 H new ATOM 0 HD23 LEU B 66 20.996 -15.493 -1.041 1.00 0.46 H new ATOM 2136 N LYS B 67 24.084 -14.546 2.597 1.00 0.32 N ATOM 2137 CA LYS B 67 25.276 -14.194 3.431 1.00 0.34 C ATOM 2138 C LYS B 67 24.854 -13.274 4.578 1.00 0.30 C ATOM 2139 O LYS B 67 25.402 -13.326 5.664 1.00 0.35 O ATOM 2140 CB LYS B 67 26.226 -13.466 2.480 1.00 0.41 C ATOM 2141 CG LYS B 67 27.032 -14.490 1.680 1.00 0.50 C ATOM 2142 CD LYS B 67 28.191 -15.007 2.535 1.00 0.69 C ATOM 2143 CE LYS B 67 29.250 -13.911 2.680 1.00 0.94 C ATOM 2144 NZ LYS B 67 29.744 -14.037 4.079 1.00 1.70 N ATOM 0 H LYS B 67 24.166 -14.314 1.607 1.00 0.32 H new ATOM 0 HA LYS B 67 25.745 -15.071 3.878 1.00 0.34 H new ATOM 0 HB2 LYS B 67 25.660 -12.825 1.804 1.00 0.41 H new ATOM 0 HB3 LYS B 67 26.898 -12.820 3.045 1.00 0.41 H new ATOM 0 HG2 LYS B 67 26.391 -15.318 1.379 1.00 0.50 H new ATOM 0 HG3 LYS B 67 27.415 -14.034 0.767 1.00 0.50 H new ATOM 0 HD2 LYS B 67 27.826 -15.307 3.517 1.00 0.69 H new ATOM 0 HD3 LYS B 67 28.630 -15.892 2.074 1.00 0.69 H new ATOM 0 HE2 LYS B 67 30.059 -14.046 1.962 1.00 0.94 H new ATOM 0 HE3 LYS B 67 28.824 -12.924 2.499 1.00 0.94 H new ATOM 0 HZ1 LYS B 67 30.474 -13.318 4.255 1.00 1.70 H new ATOM 0 HZ2 LYS B 67 28.954 -13.897 4.740 1.00 1.70 H new ATOM 0 HZ3 LYS B 67 30.150 -14.984 4.220 1.00 1.70 H new ATOM 2158 N ARG B 68 23.873 -12.443 4.340 1.00 0.28 N ATOM 2159 CA ARG B 68 23.387 -11.521 5.403 1.00 0.27 C ATOM 2160 C ARG B 68 22.390 -12.266 6.300 1.00 0.25 C ATOM 2161 O ARG B 68 22.253 -11.971 7.472 1.00 0.29 O ATOM 2162 CB ARG B 68 22.732 -10.350 4.649 1.00 0.29 C ATOM 2163 CG ARG B 68 21.233 -10.595 4.452 1.00 0.32 C ATOM 2164 CD ARG B 68 20.650 -9.482 3.578 1.00 0.48 C ATOM 2165 NE ARG B 68 20.445 -8.333 4.504 1.00 0.71 N ATOM 2166 CZ ARG B 68 21.421 -7.499 4.736 1.00 0.59 C ATOM 2167 NH1 ARG B 68 22.131 -7.030 3.746 1.00 0.61 N ATOM 2168 NH2 ARG B 68 21.689 -7.133 5.960 1.00 1.04 N ATOM 0 H ARG B 68 23.386 -12.365 3.447 1.00 0.28 H new ATOM 0 HA ARG B 68 24.179 -11.157 6.058 1.00 0.27 H new ATOM 0 HB2 ARG B 68 22.883 -9.425 5.205 1.00 0.29 H new ATOM 0 HB3 ARG B 68 23.214 -10.222 3.680 1.00 0.29 H new ATOM 0 HG2 ARG B 68 21.070 -11.565 3.983 1.00 0.32 H new ATOM 0 HG3 ARG B 68 20.727 -10.619 5.417 1.00 0.32 H new ATOM 0 HD2 ARG B 68 21.330 -9.219 2.768 1.00 0.48 H new ATOM 0 HD3 ARG B 68 19.711 -9.791 3.119 1.00 0.48 H new ATOM 0 HE ARG B 68 19.541 -8.198 4.957 1.00 0.71 H new ATOM 0 HH11 ARG B 68 21.923 -7.316 2.789 1.00 0.61 H new ATOM 0 HH12 ARG B 68 22.894 -6.378 3.929 1.00 0.61 H new ATOM 0 HH21 ARG B 68 21.135 -7.499 6.735 1.00 1.04 H new ATOM 0 HH22 ARG B 68 22.452 -6.481 6.142 1.00 1.04 H new ATOM 2182 N TRP B 69 21.705 -13.236 5.743 1.00 0.24 N ATOM 2183 CA TRP B 69 20.713 -14.038 6.528 1.00 0.23 C ATOM 2184 C TRP B 69 21.319 -14.539 7.845 1.00 0.25 C ATOM 2185 O TRP B 69 20.646 -14.608 8.856 1.00 0.30 O ATOM 2186 CB TRP B 69 20.403 -15.232 5.628 1.00 0.23 C ATOM 2187 CG TRP B 69 19.006 -15.707 5.850 1.00 0.23 C ATOM 2188 CD1 TRP B 69 18.678 -16.964 6.219 1.00 0.25 C ATOM 2189 CD2 TRP B 69 17.747 -14.978 5.716 1.00 0.24 C ATOM 2190 NE1 TRP B 69 17.306 -17.059 6.317 1.00 0.26 N ATOM 2191 CE2 TRP B 69 16.686 -15.866 6.017 1.00 0.25 C ATOM 2192 CE3 TRP B 69 17.419 -13.651 5.367 1.00 0.26 C ATOM 2193 CZ2 TRP B 69 15.355 -15.459 5.970 1.00 0.29 C ATOM 2194 CZ3 TRP B 69 16.077 -13.243 5.320 1.00 0.29 C ATOM 2195 CH2 TRP B 69 15.050 -14.147 5.620 1.00 0.30 C ATOM 0 H TRP B 69 21.792 -13.510 4.764 1.00 0.24 H new ATOM 0 HA TRP B 69 19.834 -13.449 6.790 1.00 0.23 H new ATOM 0 HB2 TRP B 69 20.536 -14.951 4.583 1.00 0.23 H new ATOM 0 HB3 TRP B 69 21.105 -16.041 5.832 1.00 0.23 H new ATOM 0 HD1 TRP B 69 19.377 -17.765 6.407 1.00 0.25 H new ATOM 0 HE1 TRP B 69 16.810 -17.910 6.580 1.00 0.26 H new ATOM 0 HE3 TRP B 69 18.204 -12.946 5.135 1.00 0.26 H new ATOM 0 HZ2 TRP B 69 14.565 -16.157 6.204 1.00 0.29 H new ATOM 0 HZ3 TRP B 69 15.835 -12.226 5.051 1.00 0.29 H new ATOM 0 HH2 TRP B 69 14.020 -13.825 5.580 1.00 0.30 H new ATOM 2206 N GLY B 70 22.577 -14.910 7.832 1.00 0.26 N ATOM 2207 CA GLY B 70 23.222 -15.434 9.076 1.00 0.31 C ATOM 2208 C GLY B 70 24.287 -14.460 9.586 1.00 0.32 C ATOM 2209 O GLY B 70 25.360 -14.867 9.988 1.00 0.39 O ATOM 0 H GLY B 70 23.184 -14.872 7.013 1.00 0.26 H new ATOM 0 HA2 GLY B 70 22.466 -15.589 9.846 1.00 0.31 H new ATOM 0 HA3 GLY B 70 23.676 -16.404 8.875 1.00 0.31 H new ATOM 2213 N THR B 71 23.998 -13.184 9.588 1.00 0.29 N ATOM 2214 CA THR B 71 24.997 -12.194 10.092 1.00 0.33 C ATOM 2215 C THR B 71 24.303 -10.882 10.482 1.00 0.32 C ATOM 2216 O THR B 71 24.922 -9.835 10.529 1.00 0.38 O ATOM 2217 CB THR B 71 25.985 -11.991 8.932 1.00 0.37 C ATOM 2218 OG1 THR B 71 27.256 -11.632 9.456 1.00 0.45 O ATOM 2219 CG2 THR B 71 25.495 -10.887 7.990 1.00 0.43 C ATOM 0 H THR B 71 23.117 -12.786 9.264 1.00 0.29 H new ATOM 0 HA THR B 71 25.509 -12.541 10.989 1.00 0.33 H new ATOM 0 HB THR B 71 26.060 -12.922 8.370 1.00 0.37 H new ATOM 0 HG1 THR B 71 27.889 -11.503 8.719 1.00 0.45 H new ATOM 0 HG21 THR B 71 26.209 -10.760 7.176 1.00 0.43 H new ATOM 0 HG22 THR B 71 24.523 -11.163 7.580 1.00 0.43 H new ATOM 0 HG23 THR B 71 25.404 -9.952 8.542 1.00 0.43 H new ATOM 2227 N ILE B 72 23.026 -10.936 10.770 1.00 0.31 N ATOM 2228 CA ILE B 72 22.289 -9.700 11.165 1.00 0.32 C ATOM 2229 C ILE B 72 21.975 -9.742 12.668 1.00 0.33 C ATOM 2230 O ILE B 72 22.851 -9.997 13.473 1.00 0.40 O ATOM 2231 CB ILE B 72 21.012 -9.706 10.314 1.00 0.32 C ATOM 2232 CG1 ILE B 72 20.207 -10.979 10.587 1.00 0.32 C ATOM 2233 CG2 ILE B 72 21.382 -9.650 8.830 1.00 0.36 C ATOM 2234 CD1 ILE B 72 18.728 -10.708 10.307 1.00 0.31 C ATOM 0 H ILE B 72 22.462 -11.786 10.748 1.00 0.31 H new ATOM 0 HA ILE B 72 22.864 -8.789 10.996 1.00 0.32 H new ATOM 0 HB ILE B 72 20.409 -8.836 10.574 1.00 0.32 H new ATOM 0 HG12 ILE B 72 20.566 -11.793 9.957 1.00 0.32 H new ATOM 0 HG13 ILE B 72 20.342 -11.294 11.622 1.00 0.32 H new ATOM 0 HG21 ILE B 72 20.473 -9.654 8.228 1.00 0.36 H new ATOM 0 HG22 ILE B 72 21.946 -8.739 8.630 1.00 0.36 H new ATOM 0 HG23 ILE B 72 21.991 -10.517 8.574 1.00 0.36 H new ATOM 0 HD11 ILE B 72 18.150 -11.612 10.500 1.00 0.31 H new ATOM 0 HD12 ILE B 72 18.376 -9.906 10.956 1.00 0.31 H new ATOM 0 HD13 ILE B 72 18.603 -10.413 9.265 1.00 0.31 H new ATOM 2246 N LYS B 73 20.747 -9.492 13.056 1.00 0.35 N ATOM 2247 CA LYS B 73 20.399 -9.516 14.509 1.00 0.36 C ATOM 2248 C LYS B 73 19.325 -10.562 14.790 1.00 0.33 C ATOM 2249 O LYS B 73 19.248 -11.094 15.881 1.00 0.36 O ATOM 2250 CB LYS B 73 19.862 -8.114 14.811 1.00 0.42 C ATOM 2251 CG LYS B 73 19.177 -8.106 16.179 1.00 0.41 C ATOM 2252 CD LYS B 73 19.472 -6.788 16.912 1.00 0.57 C ATOM 2253 CE LYS B 73 20.982 -6.613 17.167 1.00 0.58 C ATOM 2254 NZ LYS B 73 21.543 -7.981 17.368 1.00 0.75 N ATOM 0 H LYS B 73 19.973 -9.273 12.429 1.00 0.35 H new ATOM 0 HA LYS B 73 21.259 -9.773 15.127 1.00 0.36 H new ATOM 0 HB2 LYS B 73 20.678 -7.391 14.798 1.00 0.42 H new ATOM 0 HB3 LYS B 73 19.156 -7.811 14.038 1.00 0.42 H new ATOM 0 HG2 LYS B 73 18.101 -8.229 16.056 1.00 0.41 H new ATOM 0 HG3 LYS B 73 19.528 -8.949 16.775 1.00 0.41 H new ATOM 0 HD2 LYS B 73 19.102 -5.950 16.321 1.00 0.57 H new ATOM 0 HD3 LYS B 73 18.937 -6.770 17.861 1.00 0.57 H new ATOM 0 HE2 LYS B 73 21.462 -6.118 16.323 1.00 0.58 H new ATOM 0 HE3 LYS B 73 21.157 -5.990 18.044 1.00 0.58 H new ATOM 0 HZ1 LYS B 73 22.445 -7.914 17.881 1.00 0.75 H new ATOM 0 HZ2 LYS B 73 20.873 -8.554 17.920 1.00 0.75 H new ATOM 0 HZ3 LYS B 73 21.703 -8.430 16.444 1.00 0.75 H new ATOM 2268 N LYS B 74 18.488 -10.831 13.822 1.00 0.30 N ATOM 2269 CA LYS B 74 17.375 -11.820 13.992 1.00 0.29 C ATOM 2270 C LYS B 74 16.296 -11.243 14.912 1.00 0.29 C ATOM 2271 O LYS B 74 15.118 -11.335 14.625 1.00 0.31 O ATOM 2272 CB LYS B 74 17.971 -13.099 14.605 1.00 0.31 C ATOM 2273 CG LYS B 74 19.307 -13.449 13.948 1.00 0.31 C ATOM 2274 CD LYS B 74 19.180 -13.398 12.424 1.00 0.32 C ATOM 2275 CE LYS B 74 18.192 -14.469 11.962 1.00 0.34 C ATOM 2276 NZ LYS B 74 18.736 -14.966 10.667 1.00 0.28 N ATOM 0 H LYS B 74 18.528 -10.398 12.899 1.00 0.30 H new ATOM 0 HA LYS B 74 16.913 -12.043 13.030 1.00 0.29 H new ATOM 0 HB2 LYS B 74 18.114 -12.961 15.677 1.00 0.31 H new ATOM 0 HB3 LYS B 74 17.272 -13.926 14.480 1.00 0.31 H new ATOM 0 HG2 LYS B 74 20.076 -12.751 14.279 1.00 0.31 H new ATOM 0 HG3 LYS B 74 19.624 -14.444 14.260 1.00 0.31 H new ATOM 0 HD2 LYS B 74 18.838 -12.412 12.109 1.00 0.32 H new ATOM 0 HD3 LYS B 74 20.153 -13.561 11.961 1.00 0.32 H new ATOM 0 HE2 LYS B 74 18.114 -15.275 12.692 1.00 0.34 H new ATOM 0 HE3 LYS B 74 17.192 -14.055 11.836 1.00 0.34 H new ATOM 0 HZ1 LYS B 74 18.102 -14.682 9.893 1.00 0.28 H new ATOM 0 HZ2 LYS B 74 19.680 -14.560 10.508 1.00 0.28 H new ATOM 0 HZ3 LYS B 74 18.806 -16.003 10.695 1.00 0.28 H new ATOM 2290 N SER B 75 16.684 -10.634 16.006 1.00 0.30 N ATOM 2291 CA SER B 75 15.674 -10.046 16.931 1.00 0.32 C ATOM 2292 C SER B 75 14.872 -8.985 16.186 1.00 0.31 C ATOM 2293 O SER B 75 13.683 -8.845 16.380 1.00 0.36 O ATOM 2294 CB SER B 75 16.480 -9.416 18.066 1.00 0.36 C ATOM 2295 OG SER B 75 16.711 -10.391 19.075 1.00 0.39 O ATOM 0 H SER B 75 17.655 -10.520 16.295 1.00 0.30 H new ATOM 0 HA SER B 75 14.970 -10.786 17.311 1.00 0.32 H new ATOM 0 HB2 SER B 75 17.429 -9.036 17.687 1.00 0.36 H new ATOM 0 HB3 SER B 75 15.940 -8.566 18.483 1.00 0.36 H new ATOM 0 HG SER B 75 17.229 -9.991 19.804 1.00 0.39 H new ATOM 2301 N LYS B 76 15.521 -8.251 15.322 1.00 0.30 N ATOM 2302 CA LYS B 76 14.813 -7.201 14.541 1.00 0.31 C ATOM 2303 C LYS B 76 14.050 -7.848 13.383 1.00 0.28 C ATOM 2304 O LYS B 76 12.908 -7.520 13.123 1.00 0.31 O ATOM 2305 CB LYS B 76 15.920 -6.290 14.017 1.00 0.36 C ATOM 2306 CG LYS B 76 15.334 -4.921 13.663 1.00 0.37 C ATOM 2307 CD LYS B 76 14.864 -4.218 14.941 1.00 0.47 C ATOM 2308 CE LYS B 76 13.397 -3.806 14.792 1.00 0.39 C ATOM 2309 NZ LYS B 76 13.295 -2.495 15.492 1.00 0.42 N ATOM 0 H LYS B 76 16.518 -8.336 15.124 1.00 0.30 H new ATOM 0 HA LYS B 76 14.085 -6.650 15.137 1.00 0.31 H new ATOM 0 HB2 LYS B 76 16.700 -6.179 14.770 1.00 0.36 H new ATOM 0 HB3 LYS B 76 16.386 -6.736 13.138 1.00 0.36 H new ATOM 0 HG2 LYS B 76 16.083 -4.313 13.156 1.00 0.37 H new ATOM 0 HG3 LYS B 76 14.499 -5.039 12.972 1.00 0.37 H new ATOM 0 HD2 LYS B 76 14.980 -4.883 15.797 1.00 0.47 H new ATOM 0 HD3 LYS B 76 15.481 -3.340 15.133 1.00 0.47 H new ATOM 0 HE2 LYS B 76 13.116 -3.717 13.743 1.00 0.39 H new ATOM 0 HE3 LYS B 76 12.732 -4.545 15.238 1.00 0.39 H new ATOM 0 HZ1 LYS B 76 12.317 -2.146 15.434 1.00 0.42 H new ATOM 0 HZ2 LYS B 76 13.562 -2.613 16.490 1.00 0.42 H new ATOM 0 HZ3 LYS B 76 13.935 -1.810 15.041 1.00 0.42 H new ATOM 2323 N ALA B 77 14.674 -8.773 12.695 1.00 0.29 N ATOM 2324 CA ALA B 77 13.986 -9.457 11.560 1.00 0.28 C ATOM 2325 C ALA B 77 12.769 -10.216 12.083 1.00 0.28 C ATOM 2326 O ALA B 77 11.669 -10.064 11.584 1.00 0.30 O ATOM 2327 CB ALA B 77 15.015 -10.434 10.986 1.00 0.29 C ATOM 0 H ALA B 77 15.630 -9.083 12.872 1.00 0.29 H new ATOM 0 HA ALA B 77 13.637 -8.753 10.804 1.00 0.28 H new ATOM 0 HB1 ALA B 77 14.576 -10.973 10.146 1.00 0.29 H new ATOM 0 HB2 ALA B 77 15.891 -9.882 10.645 1.00 0.29 H new ATOM 0 HB3 ALA B 77 15.312 -11.145 11.757 1.00 0.29 H new ATOM 2333 N ILE B 78 12.961 -11.031 13.090 1.00 0.28 N ATOM 2334 CA ILE B 78 11.818 -11.804 13.659 1.00 0.31 C ATOM 2335 C ILE B 78 10.746 -10.840 14.178 1.00 0.31 C ATOM 2336 O ILE B 78 9.570 -11.028 13.929 1.00 0.37 O ATOM 2337 CB ILE B 78 12.423 -12.641 14.791 1.00 0.34 C ATOM 2338 CG1 ILE B 78 13.415 -13.648 14.196 1.00 0.35 C ATOM 2339 CG2 ILE B 78 11.312 -13.396 15.525 1.00 0.43 C ATOM 2340 CD1 ILE B 78 14.511 -13.966 15.217 1.00 0.39 C ATOM 0 H ILE B 78 13.861 -11.194 13.542 1.00 0.28 H new ATOM 0 HA ILE B 78 11.330 -12.441 12.921 1.00 0.31 H new ATOM 0 HB ILE B 78 12.937 -11.986 15.494 1.00 0.34 H new ATOM 0 HG12 ILE B 78 12.893 -14.562 13.913 1.00 0.35 H new ATOM 0 HG13 ILE B 78 13.859 -13.241 13.288 1.00 0.35 H new ATOM 0 HG21 ILE B 78 11.746 -13.990 16.329 1.00 0.43 H new ATOM 0 HG22 ILE B 78 10.602 -12.682 15.943 1.00 0.43 H new ATOM 0 HG23 ILE B 78 10.796 -14.054 14.826 1.00 0.43 H new ATOM 0 HD11 ILE B 78 15.212 -14.682 14.787 1.00 0.39 H new ATOM 0 HD12 ILE B 78 15.042 -13.050 15.478 1.00 0.39 H new ATOM 0 HD13 ILE B 78 14.061 -14.392 16.113 1.00 0.39 H new ATOM 2352 N ASN B 79 11.137 -9.797 14.875 1.00 0.28 N ATOM 2353 CA ASN B 79 10.123 -8.818 15.374 1.00 0.31 C ATOM 2354 C ASN B 79 9.396 -8.212 14.175 1.00 0.29 C ATOM 2355 O ASN B 79 8.193 -8.033 14.187 1.00 0.32 O ATOM 2356 CB ASN B 79 10.910 -7.741 16.121 1.00 0.36 C ATOM 2357 CG ASN B 79 10.860 -8.024 17.625 1.00 0.42 C ATOM 2358 OD1 ASN B 79 9.798 -8.051 18.214 1.00 0.51 O ATOM 2359 ND2 ASN B 79 11.971 -8.239 18.274 1.00 0.47 N ATOM 0 H ASN B 79 12.105 -9.585 15.117 1.00 0.28 H new ATOM 0 HA ASN B 79 9.381 -9.280 16.026 1.00 0.31 H new ATOM 0 HB2 ASN B 79 11.944 -7.727 15.777 1.00 0.36 H new ATOM 0 HB3 ASN B 79 10.490 -6.757 15.911 1.00 0.36 H new ATOM 0 HD21 ASN B 79 11.948 -8.430 19.276 1.00 0.47 H new ATOM 0 HD22 ASN B 79 12.863 -8.216 17.780 1.00 0.47 H new ATOM 2366 N VAL B 80 10.129 -7.924 13.128 1.00 0.27 N ATOM 2367 CA VAL B 80 9.501 -7.357 11.900 1.00 0.28 C ATOM 2368 C VAL B 80 8.475 -8.361 11.371 1.00 0.25 C ATOM 2369 O VAL B 80 7.333 -8.023 11.123 1.00 0.29 O ATOM 2370 CB VAL B 80 10.672 -7.157 10.918 1.00 0.29 C ATOM 2371 CG1 VAL B 80 10.286 -7.600 9.501 1.00 0.35 C ATOM 2372 CG2 VAL B 80 11.060 -5.678 10.891 1.00 0.44 C ATOM 0 H VAL B 80 11.139 -8.059 13.073 1.00 0.27 H new ATOM 0 HA VAL B 80 8.973 -6.418 12.065 1.00 0.28 H new ATOM 0 HB VAL B 80 11.512 -7.765 11.255 1.00 0.29 H new ATOM 0 HG11 VAL B 80 11.131 -7.448 8.829 1.00 0.35 H new ATOM 0 HG12 VAL B 80 10.016 -8.656 9.511 1.00 0.35 H new ATOM 0 HG13 VAL B 80 9.436 -7.012 9.155 1.00 0.35 H new ATOM 0 HG21 VAL B 80 11.888 -5.532 10.198 1.00 0.44 H new ATOM 0 HG22 VAL B 80 10.206 -5.084 10.567 1.00 0.44 H new ATOM 0 HG23 VAL B 80 11.363 -5.363 11.890 1.00 0.44 H new ATOM 2382 N LEU B 81 8.880 -9.598 11.215 1.00 0.24 N ATOM 2383 CA LEU B 81 7.935 -10.642 10.720 1.00 0.26 C ATOM 2384 C LEU B 81 6.737 -10.732 11.668 1.00 0.26 C ATOM 2385 O LEU B 81 5.623 -11.002 11.256 1.00 0.29 O ATOM 2386 CB LEU B 81 8.736 -11.946 10.726 1.00 0.29 C ATOM 2387 CG LEU B 81 8.789 -12.520 9.309 1.00 0.43 C ATOM 2388 CD1 LEU B 81 10.101 -12.107 8.640 1.00 0.91 C ATOM 2389 CD2 LEU B 81 8.707 -14.046 9.375 1.00 0.47 C ATOM 0 H LEU B 81 9.825 -9.928 11.410 1.00 0.24 H new ATOM 0 HA LEU B 81 7.546 -10.422 9.726 1.00 0.26 H new ATOM 0 HB2 LEU B 81 9.746 -11.763 11.093 1.00 0.29 H new ATOM 0 HB3 LEU B 81 8.275 -12.665 11.404 1.00 0.29 H new ATOM 0 HG LEU B 81 7.950 -12.136 8.729 1.00 0.43 H new ATOM 0 HD11 LEU B 81 10.139 -12.516 7.630 1.00 0.91 H new ATOM 0 HD12 LEU B 81 10.159 -11.020 8.594 1.00 0.91 H new ATOM 0 HD13 LEU B 81 10.941 -12.491 9.219 1.00 0.91 H new ATOM 0 HD21 LEU B 81 8.745 -14.456 8.366 1.00 0.47 H new ATOM 0 HD22 LEU B 81 9.546 -14.431 9.955 1.00 0.47 H new ATOM 0 HD23 LEU B 81 7.772 -14.340 9.851 1.00 0.47 H new ATOM 2401 N ARG B 82 6.957 -10.479 12.934 1.00 0.27 N ATOM 2402 CA ARG B 82 5.829 -10.515 13.907 1.00 0.29 C ATOM 2403 C ARG B 82 4.881 -9.362 13.584 1.00 0.29 C ATOM 2404 O ARG B 82 3.673 -9.514 13.577 1.00 0.33 O ATOM 2405 CB ARG B 82 6.472 -10.323 15.282 1.00 0.33 C ATOM 2406 CG ARG B 82 5.557 -10.909 16.361 1.00 0.39 C ATOM 2407 CD ARG B 82 5.922 -12.377 16.602 1.00 0.47 C ATOM 2408 NE ARG B 82 6.091 -12.495 18.077 1.00 0.52 N ATOM 2409 CZ ARG B 82 7.285 -12.444 18.602 1.00 0.51 C ATOM 2410 NH1 ARG B 82 8.014 -13.524 18.670 1.00 0.64 N ATOM 2411 NH2 ARG B 82 7.749 -11.313 19.059 1.00 0.58 N ATOM 0 H ARG B 82 7.868 -10.250 13.333 1.00 0.27 H new ATOM 0 HA ARG B 82 5.258 -11.443 13.872 1.00 0.29 H new ATOM 0 HB2 ARG B 82 7.446 -10.812 15.311 1.00 0.33 H new ATOM 0 HB3 ARG B 82 6.642 -9.263 15.471 1.00 0.33 H new ATOM 0 HG2 ARG B 82 5.659 -10.342 17.286 1.00 0.39 H new ATOM 0 HG3 ARG B 82 4.515 -10.829 16.051 1.00 0.39 H new ATOM 0 HD2 ARG B 82 5.139 -13.043 16.240 1.00 0.47 H new ATOM 0 HD3 ARG B 82 6.838 -12.647 16.077 1.00 0.47 H new ATOM 0 HE ARG B 82 5.275 -12.616 18.676 1.00 0.52 H new ATOM 0 HH11 ARG B 82 7.651 -14.408 18.313 1.00 0.64 H new ATOM 0 HH12 ARG B 82 8.947 -13.484 19.080 1.00 0.64 H new ATOM 0 HH21 ARG B 82 7.179 -10.469 19.006 1.00 0.58 H new ATOM 0 HH22 ARG B 82 8.682 -11.273 19.469 1.00 0.58 H new ATOM 2425 N GLY B 83 5.437 -8.213 13.289 1.00 0.29 N ATOM 2426 CA GLY B 83 4.597 -7.037 12.930 1.00 0.31 C ATOM 2427 C GLY B 83 3.948 -7.303 11.574 1.00 0.29 C ATOM 2428 O GLY B 83 2.855 -6.846 11.299 1.00 0.35 O ATOM 0 H GLY B 83 6.443 -8.042 13.282 1.00 0.29 H new ATOM 0 HA2 GLY B 83 3.833 -6.871 13.690 1.00 0.31 H new ATOM 0 HA3 GLY B 83 5.207 -6.134 12.888 1.00 0.31 H new ATOM 2432 N PHE B 84 4.611 -8.061 10.730 1.00 0.28 N ATOM 2433 CA PHE B 84 4.033 -8.387 9.391 1.00 0.28 C ATOM 2434 C PHE B 84 2.699 -9.103 9.591 1.00 0.26 C ATOM 2435 O PHE B 84 1.695 -8.740 9.010 1.00 0.28 O ATOM 2436 CB PHE B 84 5.047 -9.324 8.726 1.00 0.31 C ATOM 2437 CG PHE B 84 5.841 -8.580 7.689 1.00 0.51 C ATOM 2438 CD1 PHE B 84 5.252 -8.229 6.470 1.00 0.78 C ATOM 2439 CD2 PHE B 84 7.178 -8.257 7.943 1.00 0.87 C ATOM 2440 CE1 PHE B 84 6.002 -7.555 5.505 1.00 1.04 C ATOM 2441 CE2 PHE B 84 7.925 -7.581 6.979 1.00 1.16 C ATOM 2442 CZ PHE B 84 7.339 -7.231 5.761 1.00 1.15 C ATOM 0 H PHE B 84 5.528 -8.467 10.914 1.00 0.28 H new ATOM 0 HA PHE B 84 3.853 -7.501 8.782 1.00 0.28 H new ATOM 0 HB2 PHE B 84 5.717 -9.739 9.479 1.00 0.31 H new ATOM 0 HB3 PHE B 84 4.528 -10.164 8.264 1.00 0.31 H new ATOM 0 HD1 PHE B 84 4.219 -8.479 6.276 1.00 0.78 H new ATOM 0 HD2 PHE B 84 7.631 -8.531 8.884 1.00 0.87 H new ATOM 0 HE1 PHE B 84 5.551 -7.284 4.562 1.00 1.04 H new ATOM 0 HE2 PHE B 84 8.957 -7.328 7.174 1.00 1.16 H new ATOM 0 HZ PHE B 84 7.919 -6.709 5.015 1.00 1.15 H new ATOM 2452 N ARG B 85 2.688 -10.111 10.429 1.00 0.26 N ATOM 2453 CA ARG B 85 1.422 -10.856 10.697 1.00 0.27 C ATOM 2454 C ARG B 85 0.385 -9.904 11.293 1.00 0.27 C ATOM 2455 O ARG B 85 -0.753 -9.865 10.864 1.00 0.31 O ATOM 2456 CB ARG B 85 1.801 -11.939 11.708 1.00 0.32 C ATOM 2457 CG ARG B 85 0.857 -13.134 11.555 1.00 0.37 C ATOM 2458 CD ARG B 85 -0.401 -12.903 12.396 1.00 0.52 C ATOM 2459 NE ARG B 85 -1.503 -13.537 11.619 1.00 0.64 N ATOM 2460 CZ ARG B 85 -2.581 -13.948 12.231 1.00 0.89 C ATOM 2461 NH1 ARG B 85 -2.486 -14.777 13.234 1.00 1.26 N ATOM 2462 NH2 ARG B 85 -3.753 -13.531 11.838 1.00 1.22 N ATOM 0 H ARG B 85 3.504 -10.449 10.939 1.00 0.26 H new ATOM 0 HA ARG B 85 0.989 -11.285 9.793 1.00 0.27 H new ATOM 0 HB2 ARG B 85 2.832 -12.254 11.550 1.00 0.32 H new ATOM 0 HB3 ARG B 85 1.741 -11.542 12.721 1.00 0.32 H new ATOM 0 HG2 ARG B 85 0.587 -13.266 10.507 1.00 0.37 H new ATOM 0 HG3 ARG B 85 1.357 -14.049 11.873 1.00 0.37 H new ATOM 0 HD2 ARG B 85 -0.304 -13.353 13.384 1.00 0.52 H new ATOM 0 HD3 ARG B 85 -0.585 -11.839 12.547 1.00 0.52 H new ATOM 0 HE ARG B 85 -1.415 -13.650 10.609 1.00 0.64 H new ATOM 0 HH11 ARG B 85 -1.570 -15.104 13.540 1.00 1.26 H new ATOM 0 HH12 ARG B 85 -3.328 -15.098 13.712 1.00 1.26 H new ATOM 0 HH21 ARG B 85 -3.827 -12.884 11.053 1.00 1.22 H new ATOM 0 HH22 ARG B 85 -4.595 -13.852 12.316 1.00 1.22 H new ATOM 2476 N LYS B 86 0.775 -9.127 12.274 1.00 0.27 N ATOM 2477 CA LYS B 86 -0.185 -8.163 12.893 1.00 0.30 C ATOM 2478 C LYS B 86 -0.689 -7.189 11.825 1.00 0.28 C ATOM 2479 O LYS B 86 -1.850 -6.825 11.799 1.00 0.34 O ATOM 2480 CB LYS B 86 0.618 -7.424 13.968 1.00 0.35 C ATOM 2481 CG LYS B 86 0.111 -7.829 15.354 1.00 0.50 C ATOM 2482 CD LYS B 86 0.769 -9.145 15.776 1.00 0.60 C ATOM 2483 CE LYS B 86 0.091 -10.310 15.052 1.00 0.54 C ATOM 2484 NZ LYS B 86 0.190 -11.460 15.993 1.00 0.70 N ATOM 0 H LYS B 86 1.714 -9.119 12.671 1.00 0.27 H new ATOM 0 HA LYS B 86 -1.058 -8.657 13.320 1.00 0.30 H new ATOM 0 HB2 LYS B 86 1.677 -7.662 13.873 1.00 0.35 H new ATOM 0 HB3 LYS B 86 0.520 -6.347 13.834 1.00 0.35 H new ATOM 0 HG2 LYS B 86 0.339 -7.048 16.079 1.00 0.50 H new ATOM 0 HG3 LYS B 86 -0.973 -7.941 15.337 1.00 0.50 H new ATOM 0 HD2 LYS B 86 1.833 -9.125 15.538 1.00 0.60 H new ATOM 0 HD3 LYS B 86 0.686 -9.276 16.855 1.00 0.60 H new ATOM 0 HE2 LYS B 86 -0.949 -10.079 14.820 1.00 0.54 H new ATOM 0 HE3 LYS B 86 0.588 -10.530 14.107 1.00 0.54 H new ATOM 0 HZ1 LYS B 86 -0.254 -12.298 15.566 1.00 0.70 H new ATOM 0 HZ2 LYS B 86 1.191 -11.662 16.190 1.00 0.70 H new ATOM 0 HZ3 LYS B 86 -0.297 -11.225 16.881 1.00 0.70 H new ATOM 2498 N GLU B 87 0.180 -6.780 10.934 1.00 0.27 N ATOM 2499 CA GLU B 87 -0.235 -5.842 9.849 1.00 0.28 C ATOM 2500 C GLU B 87 -1.138 -6.575 8.856 1.00 0.27 C ATOM 2501 O GLU B 87 -2.115 -6.033 8.374 1.00 0.31 O ATOM 2502 CB GLU B 87 1.065 -5.407 9.172 1.00 0.33 C ATOM 2503 CG GLU B 87 1.511 -4.056 9.735 1.00 0.39 C ATOM 2504 CD GLU B 87 2.268 -3.279 8.656 1.00 0.49 C ATOM 2505 OE1 GLU B 87 1.638 -2.880 7.690 1.00 0.79 O ATOM 2506 OE2 GLU B 87 3.464 -3.097 8.812 1.00 0.68 O ATOM 0 H GLU B 87 1.161 -7.057 10.913 1.00 0.27 H new ATOM 0 HA GLU B 87 -0.794 -4.987 10.229 1.00 0.28 H new ATOM 0 HB2 GLU B 87 1.841 -6.155 9.337 1.00 0.33 H new ATOM 0 HB3 GLU B 87 0.918 -5.333 8.094 1.00 0.33 H new ATOM 0 HG2 GLU B 87 0.645 -3.485 10.069 1.00 0.39 H new ATOM 0 HG3 GLU B 87 2.149 -4.206 10.606 1.00 0.39 H new ATOM 2513 N ILE B 88 -0.821 -7.811 8.556 1.00 0.27 N ATOM 2514 CA ILE B 88 -1.664 -8.591 7.604 1.00 0.28 C ATOM 2515 C ILE B 88 -3.044 -8.825 8.233 1.00 0.26 C ATOM 2516 O ILE B 88 -4.062 -8.755 7.567 1.00 0.29 O ATOM 2517 CB ILE B 88 -0.881 -9.900 7.356 1.00 0.30 C ATOM 2518 CG1 ILE B 88 -0.854 -10.189 5.852 1.00 0.37 C ATOM 2519 CG2 ILE B 88 -1.516 -11.090 8.088 1.00 0.31 C ATOM 2520 CD1 ILE B 88 0.444 -9.645 5.252 1.00 0.41 C ATOM 0 H ILE B 88 -0.015 -8.311 8.930 1.00 0.27 H new ATOM 0 HA ILE B 88 -1.848 -8.083 6.657 1.00 0.28 H new ATOM 0 HB ILE B 88 0.130 -9.769 7.742 1.00 0.30 H new ATOM 0 HG12 ILE B 88 -0.927 -11.262 5.676 1.00 0.37 H new ATOM 0 HG13 ILE B 88 -1.713 -9.727 5.366 1.00 0.37 H new ATOM 0 HG21 ILE B 88 -0.936 -11.991 7.888 1.00 0.31 H new ATOM 0 HG22 ILE B 88 -1.525 -10.895 9.160 1.00 0.31 H new ATOM 0 HG23 ILE B 88 -2.538 -11.230 7.736 1.00 0.31 H new ATOM 0 HD11 ILE B 88 0.464 -9.850 4.182 1.00 0.41 H new ATOM 0 HD12 ILE B 88 0.498 -8.569 5.416 1.00 0.41 H new ATOM 0 HD13 ILE B 88 1.296 -10.128 5.730 1.00 0.41 H new ATOM 2532 N GLY B 89 -3.083 -9.068 9.521 1.00 0.24 N ATOM 2533 CA GLY B 89 -4.390 -9.271 10.208 1.00 0.25 C ATOM 2534 C GLY B 89 -5.172 -7.965 10.122 1.00 0.24 C ATOM 2535 O GLY B 89 -6.379 -7.952 9.962 1.00 0.28 O ATOM 0 H GLY B 89 -2.263 -9.134 10.124 1.00 0.24 H new ATOM 0 HA2 GLY B 89 -4.947 -10.081 9.737 1.00 0.25 H new ATOM 0 HA3 GLY B 89 -4.234 -9.555 11.249 1.00 0.25 H new ATOM 2539 N ARG B 90 -4.476 -6.862 10.205 1.00 0.25 N ATOM 2540 CA ARG B 90 -5.152 -5.541 10.105 1.00 0.26 C ATOM 2541 C ARG B 90 -5.671 -5.358 8.681 1.00 0.25 C ATOM 2542 O ARG B 90 -6.738 -4.810 8.465 1.00 0.27 O ATOM 2543 CB ARG B 90 -4.066 -4.510 10.409 1.00 0.30 C ATOM 2544 CG ARG B 90 -4.079 -4.167 11.899 1.00 0.36 C ATOM 2545 CD ARG B 90 -2.994 -3.127 12.183 1.00 0.48 C ATOM 2546 NE ARG B 90 -2.598 -3.355 13.601 1.00 0.67 N ATOM 2547 CZ ARG B 90 -1.623 -2.664 14.125 1.00 0.51 C ATOM 2548 NH1 ARG B 90 -0.387 -3.049 13.959 1.00 0.87 N ATOM 2549 NH2 ARG B 90 -1.883 -1.586 14.814 1.00 0.73 N ATOM 0 H ARG B 90 -3.466 -6.822 10.338 1.00 0.25 H new ATOM 0 HA ARG B 90 -5.997 -5.445 10.787 1.00 0.26 H new ATOM 0 HB2 ARG B 90 -3.090 -4.903 10.126 1.00 0.30 H new ATOM 0 HB3 ARG B 90 -4.231 -3.609 9.818 1.00 0.30 H new ATOM 0 HG2 ARG B 90 -5.056 -3.779 12.187 1.00 0.36 H new ATOM 0 HG3 ARG B 90 -3.904 -5.064 12.493 1.00 0.36 H new ATOM 0 HD2 ARG B 90 -2.144 -3.251 11.512 1.00 0.48 H new ATOM 0 HD3 ARG B 90 -3.371 -2.115 12.037 1.00 0.48 H new ATOM 0 HE ARG B 90 -3.089 -4.051 14.162 1.00 0.67 H new ATOM 0 HH11 ARG B 90 -0.183 -3.890 13.420 1.00 0.87 H new ATOM 0 HH12 ARG B 90 0.375 -2.509 14.369 1.00 0.87 H new ATOM 0 HH21 ARG B 90 -2.849 -1.284 14.943 1.00 0.73 H new ATOM 0 HH22 ARG B 90 -1.121 -1.046 15.223 1.00 0.73 H new ATOM 2563 N MET B 91 -4.927 -5.845 7.711 1.00 0.25 N ATOM 2564 CA MET B 91 -5.366 -5.729 6.290 1.00 0.25 C ATOM 2565 C MET B 91 -6.718 -6.413 6.155 1.00 0.23 C ATOM 2566 O MET B 91 -7.613 -5.927 5.490 1.00 0.25 O ATOM 2567 CB MET B 91 -4.294 -6.455 5.470 1.00 0.29 C ATOM 2568 CG MET B 91 -3.928 -5.613 4.246 1.00 0.44 C ATOM 2569 SD MET B 91 -2.648 -6.462 3.289 1.00 0.53 S ATOM 2570 CE MET B 91 -1.238 -5.981 4.316 1.00 0.56 C ATOM 0 H MET B 91 -4.034 -6.318 7.849 1.00 0.25 H new ATOM 0 HA MET B 91 -5.474 -4.699 5.952 1.00 0.25 H new ATOM 0 HB2 MET B 91 -3.409 -6.629 6.082 1.00 0.29 H new ATOM 0 HB3 MET B 91 -4.661 -7.432 5.156 1.00 0.29 H new ATOM 0 HG2 MET B 91 -4.810 -5.449 3.628 1.00 0.44 H new ATOM 0 HG3 MET B 91 -3.572 -4.632 4.560 1.00 0.44 H new ATOM 0 HE1 MET B 91 -0.552 -5.370 3.729 1.00 0.56 H new ATOM 0 HE2 MET B 91 -1.591 -5.409 5.174 1.00 0.56 H new ATOM 0 HE3 MET B 91 -0.720 -6.875 4.665 1.00 0.56 H new ATOM 2580 N LEU B 92 -6.873 -7.525 6.823 1.00 0.24 N ATOM 2581 CA LEU B 92 -8.171 -8.247 6.787 1.00 0.25 C ATOM 2582 C LEU B 92 -9.230 -7.365 7.414 1.00 0.26 C ATOM 2583 O LEU B 92 -10.322 -7.229 6.893 1.00 0.29 O ATOM 2584 CB LEU B 92 -7.934 -9.512 7.588 1.00 0.28 C ATOM 2585 CG LEU B 92 -6.910 -10.338 6.829 1.00 0.32 C ATOM 2586 CD1 LEU B 92 -6.094 -11.186 7.810 1.00 0.40 C ATOM 2587 CD2 LEU B 92 -7.630 -11.248 5.829 1.00 0.37 C ATOM 0 H LEU B 92 -6.151 -7.964 7.394 1.00 0.24 H new ATOM 0 HA LEU B 92 -8.515 -8.490 5.782 1.00 0.25 H new ATOM 0 HB2 LEU B 92 -7.571 -9.272 8.587 1.00 0.28 H new ATOM 0 HB3 LEU B 92 -8.863 -10.069 7.711 1.00 0.28 H new ATOM 0 HG LEU B 92 -6.235 -9.672 6.291 1.00 0.32 H new ATOM 0 HD11 LEU B 92 -5.362 -11.776 7.259 1.00 0.40 H new ATOM 0 HD12 LEU B 92 -5.578 -10.533 8.514 1.00 0.40 H new ATOM 0 HD13 LEU B 92 -6.761 -11.853 8.356 1.00 0.40 H new ATOM 0 HD21 LEU B 92 -6.896 -11.841 5.283 1.00 0.37 H new ATOM 0 HD22 LEU B 92 -8.308 -11.912 6.365 1.00 0.37 H new ATOM 0 HD23 LEU B 92 -8.198 -10.639 5.126 1.00 0.37 H new ATOM 2599 N ASN B 93 -8.894 -6.717 8.504 1.00 0.28 N ATOM 2600 CA ASN B 93 -9.864 -5.782 9.138 1.00 0.31 C ATOM 2601 C ASN B 93 -10.308 -4.777 8.073 1.00 0.31 C ATOM 2602 O ASN B 93 -11.401 -4.245 8.118 1.00 0.38 O ATOM 2603 CB ASN B 93 -9.087 -5.083 10.258 1.00 0.35 C ATOM 2604 CG ASN B 93 -9.969 -4.972 11.503 1.00 0.59 C ATOM 2605 OD1 ASN B 93 -10.838 -4.124 11.575 1.00 0.94 O ATOM 2606 ND2 ASN B 93 -9.782 -5.799 12.494 1.00 0.91 N ATOM 0 H ASN B 93 -7.994 -6.797 8.977 1.00 0.28 H new ATOM 0 HA ASN B 93 -10.750 -6.277 9.536 1.00 0.31 H new ATOM 0 HB2 ASN B 93 -8.181 -5.643 10.490 1.00 0.35 H new ATOM 0 HB3 ASN B 93 -8.773 -4.091 9.933 1.00 0.35 H new ATOM 0 HD21 ASN B 93 -10.364 -5.734 13.329 1.00 0.91 H new ATOM 0 HD22 ASN B 93 -9.053 -6.510 12.434 1.00 0.91 H new ATOM 2613 N ILE B 94 -9.458 -4.542 7.096 1.00 0.28 N ATOM 2614 CA ILE B 94 -9.820 -3.598 5.998 1.00 0.29 C ATOM 2615 C ILE B 94 -10.633 -4.323 4.921 1.00 0.30 C ATOM 2616 O ILE B 94 -11.559 -3.760 4.367 1.00 0.38 O ATOM 2617 CB ILE B 94 -8.507 -3.082 5.388 1.00 0.29 C ATOM 2618 CG1 ILE B 94 -7.434 -2.929 6.474 1.00 0.32 C ATOM 2619 CG2 ILE B 94 -8.769 -1.726 4.726 1.00 0.33 C ATOM 2620 CD1 ILE B 94 -6.323 -1.986 5.997 1.00 0.53 C ATOM 0 H ILE B 94 -8.533 -4.965 7.016 1.00 0.28 H new ATOM 0 HA ILE B 94 -10.423 -2.777 6.386 1.00 0.29 H new ATOM 0 HB ILE B 94 -8.148 -3.797 4.648 1.00 0.29 H new ATOM 0 HG12 ILE B 94 -7.884 -2.539 7.387 1.00 0.32 H new ATOM 0 HG13 ILE B 94 -7.013 -3.904 6.718 1.00 0.32 H new ATOM 0 HG21 ILE B 94 -7.844 -1.350 4.289 1.00 0.33 H new ATOM 0 HG22 ILE B 94 -9.519 -1.842 3.943 1.00 0.33 H new ATOM 0 HG23 ILE B 94 -9.131 -1.020 5.473 1.00 0.33 H new ATOM 0 HD11 ILE B 94 -5.569 -1.887 6.778 1.00 0.53 H new ATOM 0 HD12 ILE B 94 -5.862 -2.393 5.097 1.00 0.53 H new ATOM 0 HD13 ILE B 94 -6.747 -1.006 5.776 1.00 0.53 H new ATOM 2632 N LEU B 95 -10.301 -5.560 4.600 1.00 0.27 N ATOM 2633 CA LEU B 95 -11.087 -6.264 3.535 1.00 0.31 C ATOM 2634 C LEU B 95 -12.214 -7.113 4.142 1.00 0.36 C ATOM 2635 O LEU B 95 -12.802 -7.938 3.468 1.00 0.48 O ATOM 2636 CB LEU B 95 -10.088 -7.131 2.761 1.00 0.31 C ATOM 2637 CG LEU B 95 -9.391 -8.105 3.704 1.00 0.34 C ATOM 2638 CD1 LEU B 95 -9.898 -9.525 3.448 1.00 0.52 C ATOM 2639 CD2 LEU B 95 -7.881 -8.050 3.454 1.00 0.37 C ATOM 0 H LEU B 95 -9.541 -6.096 5.018 1.00 0.27 H new ATOM 0 HA LEU B 95 -11.575 -5.549 2.873 1.00 0.31 H new ATOM 0 HB2 LEU B 95 -10.606 -7.682 1.976 1.00 0.31 H new ATOM 0 HB3 LEU B 95 -9.349 -6.497 2.271 1.00 0.31 H new ATOM 0 HG LEU B 95 -9.605 -7.829 4.736 1.00 0.34 H new ATOM 0 HD11 LEU B 95 -9.397 -10.218 4.124 1.00 0.52 H new ATOM 0 HD12 LEU B 95 -10.974 -9.564 3.620 1.00 0.52 H new ATOM 0 HD13 LEU B 95 -9.685 -9.807 2.417 1.00 0.52 H new ATOM 0 HD21 LEU B 95 -7.376 -8.744 4.125 1.00 0.37 H new ATOM 0 HD22 LEU B 95 -7.673 -8.328 2.421 1.00 0.37 H new ATOM 0 HD23 LEU B 95 -7.518 -7.039 3.638 1.00 0.37 H new ATOM 2651 N ASN B 96 -12.537 -6.899 5.397 1.00 0.32 N ATOM 2652 CA ASN B 96 -13.650 -7.675 6.033 1.00 0.38 C ATOM 2653 C ASN B 96 -14.776 -6.724 6.451 1.00 0.43 C ATOM 2654 O ASN B 96 -15.934 -7.096 6.483 1.00 0.50 O ATOM 2655 CB ASN B 96 -13.036 -8.353 7.259 1.00 0.40 C ATOM 2656 CG ASN B 96 -12.300 -9.620 6.822 1.00 0.46 C ATOM 2657 OD1 ASN B 96 -11.128 -9.884 7.323 1.00 0.65 O flip ATOM 2658 ND2 ASN B 96 -12.800 -10.378 6.015 1.00 0.61 N flip ATOM 0 H ASN B 96 -12.079 -6.222 6.007 1.00 0.32 H new ATOM 0 HA ASN B 96 -14.080 -8.407 5.349 1.00 0.38 H new ATOM 0 HB2 ASN B 96 -12.346 -7.672 7.758 1.00 0.40 H new ATOM 0 HB3 ASN B 96 -13.815 -8.602 7.979 1.00 0.40 H new ATOM 0 HD21 ASN B 96 -13.718 -10.171 5.622 1.00 0.61 H new ATOM 0 HD22 ASN B 96 -12.301 -11.221 5.730 1.00 0.61 H new